474	490	941	0:SP3_SP2_SP3	C[5]	C	N	3:3:2:4:	4:4:1:1:	3:4:	C[5,6a]-3:N[5]-3:N-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a])(CCHH)	C(C[5]C[5,6a]N[5]N)(CH3)(H)2	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a])(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]N[5]N)(CH3)(H)2	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]C)	109.1730	0.129	2	109.1730	0.017	2	109.1730	0.017	2	109.1730	0.017	2	109.8736	4.890	9	109.8736	4.890	9
474	490	941	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:2:	4:1:1:1:	4:2:	C[5,6a]-3:C[5]-3:C-4:N-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN)	C(C[5]C[5,6a]C[5]N)(H)3	N(C[5]C[5,6a]C[5]C)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(H)3	N(C[5]C[5,6a]C[5]C)(NN)	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1	109.8736	4.890	9	109.8736	4.890	9
474	490	941	0:SP3_SP2_SP3	C[5]	C	N	4:2:4:2:	4:1:1:1:	4:2:	C[5]-4:O[5]-2:C-4:N-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N-2:	C[5](C[5]C[5,5]CH)(O[5]N[5,5])(CH3)(NN)	C(C[5]C[5]O[5]N)(H)3	N(C[5]C[5]O[5]C)(NC)	C[5](C[5]C[5,5]CH)(O[5]N[5,5])(CH3)(NN){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]N)(H)3	N(C[5]C[5]O[5]C)(NC)	106.7630	0.000	1	106.7630	0.000	1	106.7630	0.000	1	106.7630	0.000	1	109.8736	4.890	9	109.8736	4.890	9
474	490	941	0:SP3_SP2_SP3	C[5]	C	N	4:2:4:2:	4:2:1:1:	4:2:	C[5]-4:O[5]-2:C-4:N-2:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN)	C(C[5]C[5]O[5]N)(OH)(H)2	N(C[5]C[5]O[5]C)(NN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN){1|F<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]N)(OH)(H)2	N(C[5]C[5]O[5]C)(NN)	106.7920	0.000	1	106.7920	0.000	1	106.7920	0.000	1	106.7920	0.000	1	109.8736	4.890	9	109.8736	4.890	9
474	490	941	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:2:	3:4:4:1:	4:2:	C[5]-4:C[5]-3:C-4:N-2:	C[5a]-3:C[5]-4:C-4:H-1:	C[5]-4:N-2:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN)	C(C[5a]C[5a]S[5a])(C[5]C[5]2N)(CHHN)(H)	N(C[5]C[5]2C)(NN)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN){2|C<3>}	C(C[5a]C[5a]S[5a])(C[5]C[5]2N)(CHHN)(H)	N(C[5]C[5]2C)(NN)	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	109.8736	4.890	9	109.8736	4.890	9
474	490	941	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:2:	4:1:1:1:	4:2:	C[5,6]-4:C[5]-3:C-4:N-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N-2:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NN)	C(C[5]C[5,6]C[5]N)(H)3	N(C[5]C[5,6]C[5]C)(NN)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NN){1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]N)(H)3	N(C[5]C[5,6]C[5]C)(NN)	112.3815	0.046	2	112.3815	0.002	2	112.3815	0.002	2	112.3815	0.002	2	109.8736	4.890	9	109.8736	4.890	9
474	490	941	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:2:	4:4:3:1:	4:2:	C[5]-4:C[5]-3:C-4:N-2:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N-2:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN)	C(C[5]C[5]2N)(CHHN)(CCH)(H)	N(C[5]C[5]2C)(NN)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN){2|C<3>}	C(C[5]C[5]2N)(CHHN)(CCH)(H)	N(C[5]C[5]2C)(NN)	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	109.8736	4.890	9	109.8736	4.890	9
474	490	943	0:SP3_SP-NON_SP3	C[5]	C	Ga[6]	4:3:3:4:	4:1:1:1:	3:3:3:4:	Ga[6]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	N[6]-3:N[6]-3:As[4]-3:C[5]-4:	C[5](Ga[6]As[4]N[6]2)(C[5]C[5]C)2(CH3)	C(C[5]Ga[6]C[5]2)(H)3	Ga[6](N[6]C[6a]C[6])2(As[4]As[4]2)(C[5]C[5]2C)	C[5](Ga[6]As[4]N[6]2)(C[5]C[5]C)2(CH3){2|As<2>,2|C<4>,4|C<3>}	C(C[5]Ga[6]C[5]2)(H)3	Ga[6](N[6]C[6a]C[6])2(As[4]As[4]2)(C[5]C[5]2C){1|Ga<4>,4|C<4>,7|C<3>}	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1
474	490	945	0:SP3_SP3_SP3	C[5]	C	P	3:3:4:3:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:P-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:P-3:I-1:	C[5](C[5]C[5]C)2(CH3)(PIP)	C(C[5]C[5]2P)(H)3	P(C[5]C[5]2C)(PC[5]I)(I)	C[5](C[5]C[5]C)2(CH3)(PIP){2|C<4>}	C(C[5]C[5]2P)(H)3	P(C[5]C[5]2C)(PC[5]I)(I)	109.1180	1.495	2	109.1180	2.234	2	109.1180	2.234	2	109.1180	2.234	2	109.1180	2.234	2	109.1180	2.234	2
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:1:1:1:	4:	B[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:	C[5,5](B[5,5,6]C[5,6]2C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H)	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	H(C[5,5]B[5,5,6]P[5,5,6]C)	C[5,5](B[5,5,6]C[5,6]2C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H){2|H<1>,6|C<3>}	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	H(C[5,5]B[5,5,6]P[5,5,6]C)	110.2440	0.286	2	110.2440	0.082	2	110.6898	0.204	5	110.3006	0.340	13	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:1:1:1:	4:	B[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:	C[5,5](B[5,5,6]C[5,6]O[5,6]C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H)	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	H(C[5,5]B[5,5,6]P[5,5,6]C)	C[5,5](B[5,5,6]C[5,6]O[5,6]C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H){5|C<3>,5|H<1>}	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	H(C[5,5]B[5,5,6]P[5,5,6]C)	110.9870	0.191	3	110.9870	0.036	3	110.6898	0.204	5	110.3006	0.340	13	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,6a])(C[5,5,6]C[5,6,6a]C[5,6]C)(CH3)(H)	C(C[5,5]C[3x5,6]C[5,5,6]H)(H)3	H(C[5,5]C[3x5,6]C[5,5,6]C)	C[5,5](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,6a])(C[5,5,6]C[5,6,6a]C[5,6]C)(CH3)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C(C[5,5]C[3x5,6]C[5,5,6]H)(H)3	H(C[5,5]C[3x5,6]C[5,5,6]C)	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	110.3006	0.340	13	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]As[5,6]C[5,6]C)(C[5,5,6]C[5,6]P[5,6]C)(CH3)(H)	C(C[5,5]C[5,5,6]2H)(H)3	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]As[5,6]C[5,6]C)(C[5,5,6]C[5,6]P[5,6]C)(CH3)(H){1|H<1>,1|P<4>,1|W<6>,2|C<4>}	C(C[5,5]C[5,5,6]2H)(H)3	H(C[5,5]C[5,5,6]2C)	110.0400	0.000	1	110.0400	0.000	1	110.0810	0.333	7	110.3006	0.340	13	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[3x5,6]O[5,6]O)(CH3)(H)	C(C[5,5]C[5,5,6]2H)(H)3	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[3x5,6]O[5,6]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,5]C[5,5,6]2H)(H)3	H(C[5,5]C[5,5,6]2C)	110.9430	0.000	1	110.9430	0.000	1	110.0810	0.333	7	110.3006	0.340	13	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H)	C(C[5,5]C[5,5,6]2H)(H)3	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	C(C[5,5]C[5,5,6]2H)(H)3	H(C[5,5]C[5,5,6]2C)	110.3630	0.000	1	110.4820	0.028	2	110.0810	0.333	7	110.3006	0.340	13	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H)	C(C[5,5]C[5,5,6]2H)(H)3	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[5,5]C[5,5,6]2H)(H)3	H(C[5,5]C[5,5,6]2C)	110.6010	0.000	1	110.4820	0.028	2	110.0810	0.333	7	110.3006	0.340	13	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(CH3)(H)	C(C[5,5]C[5,5,6]2H)(H)3	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C(C[5,5]C[5,5,6]2H)(H)3	H(C[5,5]C[5,5,6]2C)	109.5400	0.116	3	109.5400	0.013	3	110.0810	0.333	7	110.3006	0.340	13	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(CC[6a]HH)(H)	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(H)2	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(H)2	H(C[5,5]C[5,5,6]2C)	110.3380	0.000	1	110.3380	0.000	1	110.7250	0.300	2	110.7250	0.300	2	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]2C)2(CC[6a]HH)(H)	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(H)2	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]O[5,6]2C)2(CC[6a]HH)(H)	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(H)2	H(C[5,5]C[5,5,6]2C)	111.1120	0.000	1	111.1120	0.000	1	110.7250	0.300	2	110.7250	0.300	2	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCCH)(H)	C(C[5,5]C[5,5,6]2H)(CCO)2(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCCH)(H){1|C<2>,1|C<4>,1|O<2>,5|H<1>}	C(C[5,5]C[5,5,6]2H)(CCO)2(H)	H(C[5,5]C[5,5,6]2C)	107.7660	0.000	1	107.7660	0.000	1	107.7660	0.000	1	107.7660	0.000	1	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,5]-4:C[3x5]-4:C-4:H-1:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CCHH)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(CCCH)(H)2	H(C[5,5]C[3,5,5]C[3x5]C)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CCHH)(H){1|C<4>,5|H<1>}	C(C[5,5]C[3,5,5]C[3x5]H)(CCCH)(H)2	H(C[5,5]C[3,5,5]C[3x5]C)	107.4410	0.000	1	107.4410	0.000	1	107.6405	0.080	2	108.5526	2.288	5	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,5]-4:C[3x5]-4:C-4:H-1:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CCHH)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(CCHO)(H)2	H(C[5,5]C[3,5,5]C[3x5]C)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CCHH)(H){1|C<4>,5|H<1>}	C(C[5,5]C[3,5,5]C[3x5]H)(CCHO)(H)2	H(C[5,5]C[3,5,5]C[3x5]C)	107.8400	0.000	1	107.8400	0.000	1	107.6405	0.080	2	108.5526	2.288	5	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C-4:H-1:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]O)(CCHH)(H)	C(C[5,5]C[3x5,6,6]2H)(CCHH)(H)2	H(C[5,5]C[3x5,6,6]2C)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]O)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[5,5]C[3x5,6,6]2H)(CCHH)(H)2	H(C[5,5]C[3x5,6,6]2C)	107.2260	0.000	1	107.2260	0.000	1	107.2260	0.000	1	108.5526	2.288	5	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5,5]-4:C-4:H-1:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2O)(C[5,5]C[4,5,5]HH)(CCHH)(H)	C(C[5,5]C[4,5,5]C[5,5]H)(CC[6a]HO)(H)2	H(C[5,5]C[4,5,5]C[5,5]C)	C[5,5](C[4,5,5]C[4,5]2O)(C[5,5]C[4,5,5]HH)(CCHH)(H){5|H<1>}	C(C[5,5]C[4,5,5]C[5,5]H)(CC[6a]HO)(H)2	H(C[5,5]C[4,5,5]C[5,5]C)	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	108.5526	2.288	5	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]2C)2(CCHH)(H)	C(C[5,5]C[5,5,6]2H)(CCHH)(H)2	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]O[5,6]2C)2(CCHH)(H)	C(C[5,5]C[5,5,6]2H)(CCHH)(H)2	H(C[5,5]C[5,5,6]2C)	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	108.5526	2.288	5	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CCCH)(H)	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(H)	H(C[5,5]C[5,5,6]2C)	110.1455	0.134	2	110.1455	0.018	2	110.1455	0.018	2	110.1455	0.018	2	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C-4:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(CCCO)(H)	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(CCCO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	H(C[5,5]C[5,5,6]2C)	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	109.7330	1.577	24	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5,6]-4:O[5,6]-2:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(CH3)(H)	C(C[5,6]C[5,5,6]O[5,6]H)(H)3	H(C[5,6]C[5,5,6]O[5,6]C)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5,6]C[5,5,6]O[5,6]H)(H)3	H(C[5,6]C[5,5,6]O[5,6]C)	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6,6]O)(CH3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6,6]O)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(C[5,6]C[5,5,6]C[5,6]C)	107.4408	0.180	6	107.4408	0.032	6	107.4408	0.032	6	107.4408	0.032	6	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CCHH)(H){1|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	108.9770	0.718	2	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:N[5,5,6]-3:C-4:H-1:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(N[5,5,6]C[3x5,6]S[5])(CCHH)(H)	C(C[5,6]C[5,5,6]N[5,5,6]H)(COO)(H)2	H(C[5,6]C[5,5,6]N[5,5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(N[5,5,6]C[3x5,6]S[5])(CCHH)(H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C(C[5,6]C[5,5,6]N[5,5,6]H)(COO)(H)2	H(C[5,6]C[5,5,6]N[5,5,6]C)	109.5760	0.000	1	109.5760	0.000	1	109.5760	0.000	1	108.9770	0.718	2	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHN)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CCHH)(H){1|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CCHN)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	109.6780	0.000	1	109.6780	0.000	1	109.6780	0.000	1	109.6780	0.000	1	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	B[5,6]-4:P[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](B[5,6]P[5,6]C[6a]C[5])(P[5,6]B[5,6]C[6a]C[5])(CH3)(H)	C(C[5,6]B[5,6]P[5,6]H)(H)3	H(C[5,6]B[5,6]P[5,6]C)	C[5,6](B[5,6]P[5,6]C[6a]C[5])(P[5,6]B[5,6]C[6a]C[5])(CH3)(H){3|C<4>,4|H<1>,6|C<3>}	C(C[5,6]B[5,6]P[5,6]H)(H)3	H(C[5,6]B[5,6]P[5,6]C)	111.1415	0.240	2	111.1415	0.057	2	111.1415	0.057	2	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(CH3)(H)	C(C[5,6]C[3,5,6]C[5,6,6]H)(H)3	H(C[5,6]C[3,5,6]C[5,6,6]C)	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[5,6]C[3,5,6]C[5,6,6]H)(H)3	H(C[5,6]C[3,5,6]C[5,6,6]C)	108.1830	0.126	3	108.1830	0.016	3	108.1830	0.016	3	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]O[5,6]H)(CH3)(H)	C(C[5,6]C[5,5,6]2H)(H)3	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]O[5,6]H)(CH3)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5,6]C[5,5,6]2H)(H)3	H(C[5,6]C[5,5,6]2C)	107.3220	0.000	1	107.3220	0.000	1	107.3220	0.000	1	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(CF3)(H)	C(C[5,6]C[5,5,6]C[5,6,6]H)(F)3	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(CF3)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C(C[5,6]C[5,5,6]C[5,6,6]H)(F)3	H(C[5,6]C[5,5,6]C[5,6,6]C)	106.0630	0.219	2	106.0630	0.048	2	106.0630	0.048	2	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:Br-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CBrHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(Br)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CBrHH)(H){1|Br<1>,1|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(Br)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	109.0840	2.168	2	109.0840	4.700	2	109.0840	4.700	2	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CF3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(F)3	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CF3)(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(F)3	H(C[5,6]C[5,5,6]C[5,6]C)	104.8510	1.858	2	104.8510	3.453	2	105.6317	3.555	3	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(CF3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(F)3	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(CF3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(F)3	H(C[5,6]C[5,5,6]C[5,6]C)	107.1930	0.000	1	107.1930	0.000	1	105.6317	3.555	3	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(CH3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(CH3)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(C[5,6]C[5,5,6]C[5,6]C)	107.3770	1.568	2	107.3770	2.460	2	107.8405	2.487	15	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HO)(CH3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HO)(CH3)(H){2|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(C[5,6]C[5,5,6]C[5,6]C)	107.3830	0.000	1	107.3830	0.000	1	107.8405	2.487	15	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(C[5,6]C[5,5,6]C[5,6]C)	106.5960	0.512	2	107.4003	5.393	6	107.8405	2.487	15	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(C[5,6]C[5,5,6]C[5,6]C)	107.8025	2.873	4	107.4003	5.393	6	107.8405	2.487	15	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(C[5,6]C[5,5,6]C[5,6]C)	108.9075	0.189	2	108.5115	0.177	6	107.8405	2.487	15	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H){1|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(C[5,6]C[5,5,6]C[5,6]C)	108.3135	0.356	4	108.5115	0.177	6	107.8405	2.487	15	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H)	C(C[5,6]C[5,6,6]C[5,6]H)(H)3	H(C[5,6]C[5,6,6]C[5,6]C)	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C(C[5,6]C[5,6,6]C[5,6]H)(H)3	H(C[5,6]C[5,6,6]C[5,6]C)	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:F-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H)	C(C[5,6]C[5,6]2H)(F)(H)2	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H){3|C<3>,3|H<1>}	C(C[5,6]C[5,6]2H)(F)(H)2	H(C[5,6]C[5,6]2C)	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H)	C(C[5,6]C[5,6]2H)(H)3	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]2H)(H)3	H(C[5,6]C[5,6]2C)	107.9970	1.983	2	107.9970	3.931	2	109.0608	1.984	5	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H)	C(C[5,6]C[5,6]2H)(H)3	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[5,6]C[5,6]2H)(H)3	H(C[5,6]C[5,6]2C)	109.5150	0.000	1	109.5150	0.000	1	109.0608	1.984	5	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]C)(CH3)(H)	C(C[5,6]C[5,6]2H)(H)3	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]C)(CH3)(H){1|C<4>,1|N<2>,2|C<2>}	C(C[5,6]C[5,6]2H)(H)3	H(C[5,6]C[5,6]2C)	109.6380	0.000	1	109.6380	0.000	1	109.0608	1.984	5	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(CH3)(H)	C(C[5,6]C[5,6]2H)(H)3	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[5,6]C[5,6]2H)(H)3	H(C[5,6]C[5,6]2C)	110.1570	0.000	1	110.1570	0.000	1	109.0608	1.984	5	108.0719	3.270	35	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]C)(CHHO)(H)	C(C[5,6]C[3,5,6]C[5,6,6]H)(OC)(H)2	H(C[5,6]C[3,5,6]C[5,6,6]C)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]C)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[3,5,6]C[5,6,6]H)(OC)(H)2	H(C[5,6]C[3,5,6]C[5,6,6]C)	100.8090	0.000	1	100.8090	0.000	1	100.8090	0.000	1	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	107.7720	0.000	1	107.7720	0.000	1	107.7315	5.169	26	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	107.7135	0.421	2	107.7135	0.177	2	107.7315	5.169	26	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H){2|Cl<1>,1|C<3>,2|O<2>}	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	107.5700	0.713	4	107.1609	3.606	12	107.7315	5.169	26	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H){4|Cl<1>,1|C<3>}	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	106.9564	2.303	8	107.1609	3.606	12	107.7315	5.169	26	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	108.0335	0.080	2	108.0335	0.006	2	107.7315	5.169	26	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OS)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(OS)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	108.1730	0.020	2	108.1730	0.000	2	107.7315	5.169	26	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	108.8830	0.000	1	108.8830	0.000	1	107.7315	5.169	26	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	109.1270	0.000	1	109.1270	0.000	1	107.7315	5.169	26	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	106.4200	8.259	2	107.4250	37.136	3	107.7315	5.169	26	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	109.4350	0.000	1	107.4250	37.136	3	107.7315	5.169	26	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	109.8440	0.000	1	109.5950	0.124	2	107.7315	5.169	26	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	109.3460	0.000	1	109.5950	0.124	2	107.7315	5.169	26	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	H(C[5,6]C[5,5,6]P[5,5,6]C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	H(C[5,6]C[5,5,6]P[5,5,6]C)	104.9620	0.863	2	106.0527	3.941	3	107.2812	4.058	6	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	H(C[5,6]C[5,5,6]P[5,5,6]C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	H(C[5,6]C[5,5,6]P[5,5,6]C)	108.2340	0.000	1	106.0527	3.941	3	107.2812	4.058	6	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OP)(H)2	H(C[5,6]C[5,5,6]P[5,5,6]C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	C(C[5,6]C[5,5,6]P[5,5,6]H)(OP)(H)2	H(C[5,6]C[5,5,6]P[5,5,6]C)	108.5097	1.295	3	108.5097	1.676	3	107.2812	4.058	6	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H)	C(C[5,6]C[5,6,6]C[5,6]H)(OH)(H)2	H(C[5,6]C[5,6,6]C[5,6]C)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[5,6]C[5,6,6]C[5,6]H)(OH)(H)2	H(C[5,6]C[5,6,6]C[5,6]C)	109.8423	0.338	3	109.8423	0.114	3	109.8423	0.114	3	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H)	C(C[5,6]C[5,6]2H)(OC)(H)2	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H){3|C<4>,4|H<1>}	C(C[5,6]C[5,6]2H)(OC)(H)2	H(C[5,6]C[5,6]2C)	110.8760	0.000	1	110.8760	0.000	1	110.8760	0.000	1	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	P[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	H(C[5,6]P[5,5,6]C[5,6]C)	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	H(C[5,6]P[5,5,6]C[5,6]C)	107.4100	0.000	1	107.9940	0.682	2	107.9940	0.682	2	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:2:1:1:	4:	P[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	H(C[5,6]P[5,5,6]C[5,6]C)	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	H(C[5,6]P[5,5,6]C[5,6]C)	108.5780	0.000	1	107.9940	0.682	2	107.9940	0.682	2	107.7412	5.867	39	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]H)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]H)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]C)	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	108.6396	1.965	14	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(COO)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(COO)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	106.5220	0.000	1	106.5220	0.000	1	108.1737	2.050	3	108.6396	1.965	14	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCO)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H){1|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CCO)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	108.9400	0.000	1	108.9400	0.000	1	108.1737	2.050	3	108.6396	1.965	14	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(COO)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(CCHH)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C(C[5,6]C[5,5,6]C[5,6]H)(COO)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	109.0590	0.000	1	109.0590	0.000	1	108.1737	2.050	3	108.6396	1.965	14	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]HH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]HH)(H){1|H<1>,1|S<4>,2|C<3>}	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	110.5620	0.000	1	110.5620	0.000	1	110.5620	0.000	1	108.6396	1.965	14	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:N-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHN)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(NHS)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHN)(H){1|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(NHS)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	106.3240	0.000	1	106.3240	0.000	1	108.6640	1.740	5	108.6396	1.965	14	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:N-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]C)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(H){1|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]C)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	109.2490	0.197	4	109.2490	0.039	4	108.6640	1.740	5	108.6396	1.965	14	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]C)	107.4365	0.207	2	107.8257	0.229	4	107.8257	0.229	4	108.6396	1.965	14	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H){2|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]C)	108.2150	0.192	2	107.8257	0.229	4	107.8257	0.229	4	108.6396	1.965	14	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,5]C)(CCHO)(H)	C(C[5,6]C[5,5,6]2H)(COO)(OC)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,5]C)(CCHO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]2H)(COO)(OC)(H)	H(C[5,6]C[5,5,6]2C)	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	107.4597	1.327	6	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H){2|H<1>,4|C<4>}	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	107.1100	0.375	2	107.1100	0.140	2	107.1100	0.140	2	107.4597	1.327	6	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5a]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a]O[5a])(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H){2|H<1>,4|C<4>}	C(C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a]O[5a])(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	106.8800	0.000	1	106.8800	0.000	1	106.8800	0.000	1	107.4597	1.327	6	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]HO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]HO)(H){1|C<4>,1|O<1>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	107.4597	1.327	6	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHO)(H)	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHO)(H){2|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]C)	106.9230	0.000	1	106.9230	0.000	1	106.9230	0.000	1	107.4597	1.327	6	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:3:4:2:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6a]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]CO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(CH3)(OC)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]CO)(H){1|C<4>,1|O<1>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(CH3)(OC)	H(C[5,6]C[5,5,6]C[5,6]C)	108.4290	0.107	2	108.4290	0.012	2	108.4290	0.012	2	108.4290	0.012	2	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H){2|Cl<1>,1|C<3>,2|O<2>}	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	107.6175	0.275	2	107.6175	0.076	2	108.2195	1.334	21	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H){1|C<3>,2|H<1>,2|O<2>}	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	107.7305	0.280	4	107.7305	0.078	4	108.2195	1.334	21	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,1|O<2>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	107.0450	0.000	1	107.0450	0.000	1	108.2195	1.334	21	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	108.4220	0.000	1	108.4220	0.000	1	108.2195	1.334	21	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H){2|Cl<1>,1|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	107.4700	0.199	2	107.7990	0.158	4	108.2195	1.334	21	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H){4|Cl<1>,1|C<3>}	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	108.1280	0.035	2	107.7990	0.158	4	108.2195	1.334	21	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H){1|C<3>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	107.3900	0.000	1	107.3900	0.000	1	108.2195	1.334	21	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,1|O<2>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	107.1460	0.096	2	107.1460	0.009	2	108.2195	1.334	21	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CPdCC)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H){1|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CPdCC)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	109.6260	0.409	3	109.6260	0.167	3	108.2195	1.334	21	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	107.7720	0.000	1	107.7720	0.000	1	108.2195	1.334	21	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	110.7285	0.139	2	110.7285	0.019	2	108.2195	1.334	21	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:P-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHP)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(PC3)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHP)(H){1|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(PC3)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,6]-4:P-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHP)(H)	C(C[5,6]C[5,5,6]P[5,5,6]H)(PC[6a]2B)(H)2	H(C[5,6]C[5,5,6]P[5,5,6]C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHP)(H){1|O<2>,2|C<4>,6|H<1>}	C(C[5,6]C[5,5,6]P[5,5,6]H)(PC[6a]2B)(H)2	H(C[5,6]C[5,5,6]P[5,5,6]C)	106.8540	0.000	1	106.8540	0.000	1	106.8540	0.000	1	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H)	C(C[5,6]C[5,6]2H)(CHHO)(H)2	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5,6]C[5,6]2H)(CHHO)(H)2	H(C[5,6]C[5,6]2C)	110.6720	0.000	1	110.6720	0.000	1	110.1260	0.596	2	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H)	C(C[5,6]C[5,6]2H)(CH3)(H)2	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]2H)(CH3)(H)2	H(C[5,6]C[5,6]2C)	109.5800	0.000	1	109.5800	0.000	1	110.1260	0.596	2	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:S-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(CHHS)(H)	C(C[5,6]C[5,6]2H)(SC[6a]OO)(H)2	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(CHHS)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C(C[5,6]C[5,6]2H)(SC[6a]OO)(H)2	H(C[5,6]C[5,6]2C)	110.6090	0.460	2	110.6090	0.211	2	110.6090	0.211	2	108.4316	1.887	27	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CCHO)(H)	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CCHO)(H){1|C<4>,1|I<1>,1|O<1>,1|O<2>,4|H<1>}	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	H(C[5,6]C[5,5,6]2C)	107.9930	0.000	1	107.9930	0.000	1	107.9930	0.000	1	106.2932	2.441	5	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHO)(H){1|C<3>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	105.2080	0.000	1	105.2080	0.000	1	105.8683	2.051	4	106.2932	2.441	5	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(CCHO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(CCHO)(H){1|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	106.0883	1.669	3	106.0883	2.785	3	105.8683	2.051	4	106.2932	2.441	5	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	C(C[5,6]C[5,6]2H)(CH3)(CHH)(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]2H)(CH3)(CHH)(H)	H(C[5,6]C[5,6]2C)	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCH)(H){1|C<4>,1|P<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(H)	H(C[5,6]C[5,5,6]C[5,6]C)	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	107.3263	0.940	3	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	C(C[5,6]C[5,6]2H)(CH3)2(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C(C[5,6]C[5,6]2H)(CH3)2(H)	H(C[5,6]C[5,6]2C)	106.3070	0.000	1	107.2720	1.862	2	107.2720	1.862	2	107.3263	0.940	3	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	C(C[5,6]C[5,6]2H)(CH3)2(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]2H)(CH3)2(H)	H(C[5,6]C[5,6]2C)	108.2370	0.000	1	107.2720	1.862	2	107.2720	1.862	2	107.3263	0.940	3	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCO)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCO)(H){1|C<4>,1|P<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	H(C[5,6]C[5,5,6]C[5,6]C)	106.7180	0.068	2	106.7180	0.005	2	106.7180	0.005	2	106.1823	0.863	3	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:C-4:N-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CCCN)(H)	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CCCN)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	H(C[5,6]C[5,6]2C)	105.1110	0.000	1	105.1110	0.000	1	105.1110	0.000	1	106.1823	0.863	3	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(CNO)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC3)(H){1|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(CNO)	H(C[5,6]C[5,5,6]C[5,6]C)	105.6660	0.000	1	105.6660	0.000	1	105.6660	0.000	1	105.6660	0.000	1	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HN)(CC3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HN)(CC3)(H){2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]C)	104.6440	0.479	2	104.6440	0.230	2	105.1362	0.261	5	104.7325	0.513	8	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(CC3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(CC3)(H){2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]C)	105.4643	0.054	3	105.4643	0.003	3	105.1362	0.261	5	104.7325	0.513	8	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5]CC)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6a]C[5]H)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5]CC)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6a]C[5]H)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]C)	104.3100	0.018	2	104.3100	0.000	2	104.3100	0.000	2	104.7325	0.513	8	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5,6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CC3)(H)	C(C[5,6]C[5,6]2H)(CH3)3	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CC3)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C(C[5,6]C[5,6]2H)(CH3)3	H(C[5,6]C[5,6]2C)	103.5590	0.000	1	103.5590	0.000	1	103.5590	0.000	1	104.7325	0.513	8	107.7932	3.706	154	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	3:4:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])2(CN[5]HH)(H)	C(N[5]C[5,6a]C[5])(C[5]O[5]2H)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CN[5]HH)(H){4|H<1>}	C(N[5]C[5,6a]C[5])(C[5]O[5]2H)(H)2	H(C[5]O[5]2C)	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	108.7660	1.046	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	3:4:1:1:	4:	S[5]-2:S[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]C[5])2(CN[5]HH)(H)	C(N[5]C[5,6]C[5])(C[5]S[5]2H)(H)2	H(C[5]S[5]2C)	C[5](S[5]C[5])2(CN[5]HH)(H){4|H<1>}	C(N[5]C[5,6]C[5])(C[5]S[5]2H)(H)2	H(C[5]S[5]2C)	108.1775	0.121	2	108.1775	0.015	2	108.1775	0.015	2	108.7660	1.046	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	3:4:4:1:	4:	S[5]-2:S[5]-2:C-4:H-1:	C[5a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](S[5]C[5,6a])2(CC[5a]CH)(H)	C(C[5a]N[5a]O[5a])(C[5]S[5]2H)(CC[6a]CH)(H)	H(C[5]S[5]2C)	C[5](S[5]C[5,6a])2(CC[5a]CH)(H){2|C<3>}	C(C[5a]N[5a]O[5a])(C[5]S[5]2H)(CC[6a]CH)(H)	H(C[5]S[5]2C)	107.2700	0.000	1	107.2700	0.000	1	107.2700	0.000	1	107.2700	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:1:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:	C[5](O[5]C[5,5])2(CCl3)(H)	C(C[5]O[5]2H)(Cl)3	H(C[5]O[5]2C)	C[5](O[5]C[5,5])2(CCl3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2H)(Cl)3	H(C[5]O[5]2C)	109.9893	0.126	3	109.9893	0.016	3	109.9893	0.016	3	109.6022	0.660	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:1:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](O[5]C[5,6])2(CH3)(H)	C(C[5]O[5]2H)(H)3	H(C[5]O[5]2C)	C[5](O[5]C[5,6])2(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2H)(H)3	H(C[5]O[5]2C)	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	109.6022	0.660	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:1:1:1:	4:	O[5]-2:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:O-1:	C[5]-4:	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H)	C(C[5]O[5]S[5]H)(H)2(O)	H(C[5]O[5]S[5]C)	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]O[5]S[5]H)(H)2(O)	H(C[5]O[5]S[5]C)	108.1600	0.000	1	108.1600	0.000	1	108.1600	0.000	1	109.6022	0.660	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:2:1:1:	4:	O[5]-2:S[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H)	C(C[5]O[5]S[5]H)(OH)(H)2	H(C[5]O[5]S[5]C)	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]O[5]S[5]H)(OH)(H)2	H(C[5]O[5]S[5]C)	109.1956	1.206	37	109.1956	1.454	37	109.1956	1.454	37	109.1956	1.454	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:3:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CCC)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2H)(CCC)(H)2	H(C[5]O[5]2C)	109.1390	0.000	1	109.1390	0.000	1	109.1390	0.000	1	109.1390	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(CC[5]C[6]H)(C[5]O[5]2H)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(CC[5]C[6]H)(C[5]O[5]2H)(H)2	H(C[5]O[5]2C)	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	110.6036	2.273	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5,5,6])2(CCHH)(H)	C(C[5]O[5]2H)(CCHH)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5,5,6])2(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]O[5]2H)(CCHH)(H)2	H(C[5]O[5]2C)	110.1020	0.000	1	110.1020	0.000	1	110.8414	2.451	14	110.6036	2.273	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CCCH)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CCCH)(H)2	H(C[5]O[5]2C)	109.2310	0.000	1	109.2310	0.000	1	110.8414	2.451	14	110.6036	2.273	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CCHH)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CCHH)(H)2	H(C[5]O[5]2C)	109.6940	0.478	2	109.6940	0.228	2	110.8414	2.451	14	110.6036	2.273	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CCHO)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CCHO)(H)2	H(C[5]O[5]2C)	113.8940	0.000	1	113.8940	0.000	1	110.8414	2.451	14	110.6036	2.273	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CC[4]HH)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CC[4]HH)(H)2	H(C[5]O[5]2C)	109.1015	0.197	2	109.1015	0.039	2	110.8414	2.451	14	110.6036	2.273	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CC[5]CH)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CC[5]CH)(H)2	H(C[5]O[5]2C)	110.6530	0.000	1	110.6530	0.000	1	110.8414	2.451	14	110.6036	2.273	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CC[5]HH)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CC[5]HH)(H)2	H(C[5]O[5]2C)	112.2230	0.000	1	112.2230	0.000	1	110.8414	2.451	14	110.6036	2.273	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CC[6a]CH)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CC[6a]CH)(H)2	H(C[5]O[5]2C)	110.4020	0.000	1	110.4020	0.000	1	110.8414	2.451	14	110.6036	2.273	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CC[6a]HH)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CC[6a]HH)(H)2	H(C[5]O[5]2C)	113.0370	0.000	1	113.0370	0.000	1	110.8414	2.451	14	110.6036	2.273	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CClHS)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CClHS)(H)2	H(C[5]O[5]2C)	111.7065	1.358	2	111.7065	1.845	2	110.8414	2.451	14	110.6036	2.273	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CHHS)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CHHS)(H)2	H(C[5]O[5]2C)	111.2340	0.000	1	111.2340	0.000	1	110.8414	2.451	14	110.6036	2.273	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:P-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])2(CHHP)(H)	C(C[5]O[5]2H)(PC[6a]2Ru)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CHHP)(H){4|H<1>}	C(C[5]O[5]2H)(PC[6a]2Ru)(H)2	H(C[5]O[5]2C)	109.4520	0.000	1	109.4520	0.000	1	109.5055	0.006	2	110.6036	2.273	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:1:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:P-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])2(CHHP)(H)	C(C[5]O[5]2H)(PC[6a]3)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CHHP)(H){4|H<1>}	C(C[5]O[5]2H)(PC[6a]3)(H)2	H(C[5]O[5]2C)	109.5590	0.000	1	109.5590	0.000	1	109.5055	0.006	2	110.6036	2.273	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:4:1:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](O[5]C[5])2(CCCH)(H)	C(C[5]O[5]2H)(CH3)2(H)	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CCCH)(H){2|C<4>,2|H<1>}	C(C[5]O[5]2H)(CH3)2(H)	H(C[5]O[5]2C)	90.9624	0.000	1	90.9624	0.000	1	90.9624	0.000	1	90.9624	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:4:4:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](O[5]C[5])2(CC3)(H)	C(C[5]O[5]2H)(CH3)3	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CC3)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]O[5]2H)(CH3)3	H(C[5]O[5]2C)	109.0480	0.550	2	110.2140	4.230	3	110.2140	4.230	3	110.2140	4.230	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:2:4:1:	4:4:4:4:	4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](O[5]C[5])2(CC3)(H)	C(C[5]O[5]2H)(CH3)3	H(C[5]O[5]2C)	C[5](O[5]C[5])2(CC3)(H){1|C<4>,1|O<1>,1|S<2>}	C(C[5]O[5]2H)(CH3)3	H(C[5]O[5]2C)	112.5460	0.000	1	110.2140	4.230	3	110.2140	4.230	3	110.2140	4.230	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:3:4:1:	4:1:1:1:	4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)(H){2|O<2>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.2577	0.464	3	109.2577	0.215	3	109.0120	0.859	5	107.7752	9.865	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:3:4:1:	4:1:1:1:	4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)(H){1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.7730	0.000	1	109.7730	0.000	1	109.0120	0.859	5	107.7752	9.865	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:3:4:1:	4:1:1:1:	4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](O[5]In[5,5,6,6])(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](O[5]In[5,5,6,6])(C[5]O[5]O)(CH3)(H){2|N<3>,2|O<2>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	107.5140	0.000	1	107.5140	0.000	1	109.0120	0.859	5	107.7752	9.865	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:3:4:1:	4:1:1:1:	4:	S[5]-2:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(H){1|N<3>,2|C<4>}	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	101.5910	0.000	1	101.5910	0.000	1	101.5910	0.000	1	107.7752	9.865	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:3:4:1:	4:2:4:1:	4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:S-2:C-4:H-1:	C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]O)(CCHS)(H)	C(C[5]C[5]O[5]H)(SC[6a])(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](O[5]C[5,5])(C[5]C[5]O)(CCHS)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(SC[6a])(CCHH)(H)	H(C[5]C[5]O[5]C)	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:3:4:1:	4:3:1:1:	4:	N[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,5])(C[5]O[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5])(C[5]O[5]O)(CC[6a]HH)(H){1|Cl<1>,1|N<3>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	110.0610	0.000	1	110.0610	0.000	1	110.0610	0.000	1	109.4922	0.342	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:3:4:1:	4:3:1:1:	4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]O[5]H)(COO)(H)2	H(C[5]C[5]O[5]C)	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)(H){2|O<2>}	C(C[5]C[5]O[5]H)(COO)(H)2	H(C[5]C[5]O[5]C)	108.8060	0.106	2	108.8060	0.011	2	109.2423	0.577	3	109.4922	0.342	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:3:4:1:	4:3:1:1:	4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](O[5]C[5,6])(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]O[5]H)(COO)(H)2	H(C[5]C[5]O[5]C)	C[5](O[5]C[5,6])(C[5]O[5]O)(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(COO)(H)2	H(C[5]C[5]O[5]C)	110.1150	0.000	1	110.1150	0.000	1	109.2423	0.577	3	109.4922	0.342	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:3:4:1:	4:3:1:1:	4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[6a]HH)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[6a]HH)(H){2|O<2>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	109.5825	0.169	2	109.5825	0.029	2	109.5825	0.029	2	109.4922	0.342	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:3:4:1:	4:3:2:1:	4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	110.3650	0.004	2	110.3650	0.000	2	110.4629	0.022	7	110.4629	0.022	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:3:4:1:	4:3:2:1:	4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	110.5020	0.163	5	110.5020	0.027	5	110.4629	0.022	7	110.4629	0.022	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:3:4:1:	4:4:4:1:	4:	N[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]P[5,5])(C[5]O[5]O)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5])(C[5]O[5]O)(CCCH)(H){1|Cl<1>,1|N<2>,1|O<2>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	105.0610	0.000	1	105.0610	0.000	1	105.0610	0.000	1	105.0610	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:4:4:1:	4:1:1:1:	4:	O[5]-2:C[5]-4:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H)	C(C[5]C[5]O[5]H)(Cl)(H)2	H(C[5]C[5]O[5]C)	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(Cl)(H)2	H(C[5]C[5]O[5]C)	110.4760	0.271	3	110.4760	0.074	3	110.4760	0.074	3	110.0320	0.418	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	2:4:4:1:	4:1:1:1:	4:	O[5]-2:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](O[5]P[3x5,6])(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](O[5]P[3x5,6])(C[5]O[5]CH)(CH3)(H){1|C<4>,2|O<2>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.3660	0.212	2	109.3660	0.045	2	109.3660	0.045	2	110.0320	0.418	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5,6]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(O[5]B[5,5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]N[5,6]C[6])(O[5]B[5,5])(CH3)(H){1|H<1>,2|C<3>,2|O<2>}	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	108.7095	0.449	4	108.7095	0.201	4	108.7095	0.201	4	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCl3)(H)	C(C[5]C[5,6a]O[5]H)(Cl)3	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCl3)(H){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(Cl)3	H(C[5]C[5,6a]O[5]C)	110.5095	0.104	2	110.5095	0.011	2	110.5095	0.011	2	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)(H)	C(C[5]C[5,6a]O[5]H)(F)3	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(F)3	H(C[5]C[5,6a]O[5]C)	110.0950	0.000	1	110.0950	0.000	1	110.0950	0.000	1	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H)	C(C[5]C[5,6a]O[5]H)(H)3	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]H)(H)3	H(C[5]C[5,6a]O[5]C)	108.9570	0.389	7	108.9570	0.151	7	109.1088	0.205	9	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H)	C(C[5]C[5,6a]O[5]H)(H)3	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(H)3	H(C[5]C[5,6a]O[5]C)	109.7080	0.000	1	109.6400	0.009	2	109.1088	0.205	9	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H)	C(C[5]C[5,6a]O[5]H)(H)3	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(H)3	H(C[5]C[5,6a]O[5]C)	109.5720	0.000	1	109.6400	0.009	2	109.1088	0.205	9	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(C[5]C[5])(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]C)(C[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.9040	0.000	1	109.9040	0.000	1	109.3558	1.122	4	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.5450	0.000	1	109.5450	0.000	1	109.3558	1.122	4	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	110.1610	0.000	1	110.1610	0.000	1	109.3558	1.122	4	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(O[5]Ga[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]O)(O[5]Ga[5])(CH3)(H){2|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	107.8130	0.000	1	107.8130	0.000	1	109.3558	1.122	4	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O)(S[5]C[5])(CH3)(H)	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]O)(S[5]C[5])(CH3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	109.3320	0.000	1	109.3320	0.000	1	106.7113	14.223	3	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]O)(S[5]C[5,5a])(CH3)(H)	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	C[5](C[5]N[5,5a]O)(S[5]C[5,5a])(CH3)(H){2|C<3>}	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	102.3890	0.000	1	102.3890	0.000	1	106.7113	14.223	3	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(CH3)(H)	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]O)(S[5]C[5])(CH3)(H){1|C<3>,1|S<1>}	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	108.4130	0.000	1	108.4130	0.000	1	106.7113	14.223	3	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CCl3)(H)	C(C[5]N[5,5]O[5]H)(Cl)3	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CCl3)(H){1|H<1>,2|C<4>,2|O<1>}	C(C[5]N[5,5]O[5]H)(Cl)3	H(C[5]N[5,5]O[5]C)	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	N[5,5]-3:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CH3)(H)	C(C[5]N[5,5]S[5]H)(H)3	H(C[5]N[5,5]S[5]C)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CH3)(H){1|C<3>,1|N<3>,1|S<1>,3|H<1>}	C(C[5]N[5,5]S[5]H)(H)3	H(C[5]N[5,5]S[5]C)	109.7560	0.000	1	109.7560	0.000	1	109.7560	0.000	1	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	N[5,5a]-3:O[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H)	C(C[5]N[5,5a]O[5]H)(F)3	H(C[5]N[5,5a]O[5]C)	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]N[5,5a]O[5]H)(F)3	H(C[5]N[5,5a]O[5]C)	111.1080	0.000	1	111.1080	0.000	1	111.1080	0.000	1	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H)	C(C[5]N[5]O[5]H)(F)3	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H){1|C<3>,3|H<1>}	C(C[5]N[5]O[5]H)(F)3	H(C[5]N[5]O[5]C)	110.1420	0.000	1	110.1420	0.000	1	110.1420	0.000	1	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]O)(O[5]C[5])(CH3)(H)	C(C[5]N[5]O[5]H)(H)3	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	C(C[5]N[5]O[5]H)(H)3	H(C[5]N[5]O[5]C)	109.9415	0.080	2	109.9415	0.006	2	109.9415	0.006	2	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:1:1:1:	4:	N[5]-3:S[5]-2:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(S[5]C[5])(CCl3)(H)	C(C[5]N[5]S[5]H)(Cl)3	H(C[5]N[5]S[5]C)	C[5](N[5]C[6a]C[5])(S[5]C[5])(CCl3)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]N[5]S[5]H)(Cl)3	H(C[5]N[5]S[5]C)	108.8455	0.118	2	108.8455	0.014	2	108.8455	0.014	2	109.3332	3.237	33	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:2:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6a]O[5]H)(OC)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(OC)(H)2	H(C[5]C[5,6a]O[5]C)	109.5140	0.000	1	109.5105	0.000	2	109.5105	0.000	2	109.4232	0.356	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:2:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6a]O[5]H)(OC)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(OC)(H)2	H(C[5]C[5,6a]O[5]C)	109.5070	0.000	1	109.5105	0.000	2	109.5105	0.000	2	109.4232	0.356	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:2:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:Se-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H)	C(C[5]C[5,6a]O[5]H)(SeC[6a])(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(SeC[6a])(H)2	H(C[5]C[5,6a]O[5]C)	109.7760	0.130	2	109.7760	0.017	2	109.7760	0.017	2	109.4232	0.356	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:2:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.3213	0.327	3	109.3213	0.107	3	109.4636	0.378	7	109.4232	0.356	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:2:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.7060	0.503	2	109.7060	0.253	2	109.4636	0.378	7	109.4232	0.356	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:2:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[6])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OC[6])(H)2	H(C[5]C[5]O[5]C)	110.3350	0.000	1	110.3350	0.000	1	109.4636	0.378	7	109.4232	0.356	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:2:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.5340	0.000	1	108.5340	0.000	1	109.4636	0.378	7	109.4232	0.356	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:2:1:1:	4:	N[5]-3:S[5]-2:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(CHHS)(H)	C(C[5]N[5]S[5]H)(SC)(H)2	H(C[5]N[5]S[5]C)	C[5](N[5]C[5]C)(S[5]C[5])(CHHS)(H){1|C<3>,3|H<1>}	C(C[5]N[5]S[5]H)(SC)(H)2	H(C[5]N[5]S[5]C)	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	109.4232	0.356	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5,6]-3:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H)	C(C[5]C[5,6]O[5]H)(NOO)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H){2|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]H)(NOO)(H)2	H(C[5]C[5,6]O[5]C)	108.0670	0.000	1	108.0670	0.000	1	108.0670	0.000	1	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]O[5]C)	110.1340	0.000	1	110.1340	0.000	1	109.7031	0.636	11	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]O[5]C)	108.9770	0.000	1	109.4980	0.543	2	109.7031	0.636	11	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]O[5]C)	110.0190	0.000	1	109.4980	0.543	2	109.7031	0.636	11	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]N)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|P<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]O[5]H)(CC[6a]N)(H)2	H(C[5]C[5,6a]O[5]C)	109.3280	0.000	1	109.3280	0.000	1	109.7031	0.636	11	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]O[5]C)	108.9950	0.000	1	109.6850	0.952	2	109.7031	0.636	11	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]O[5]C)	110.3750	0.000	1	109.6850	0.952	2	109.7031	0.636	11	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(COO)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(COO)(H)2	H(C[5]C[5,6a]O[5]C)	110.2490	0.128	4	109.7812	1.107	5	109.7031	0.636	11	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(COO)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]O[5]H)(COO)(H)2	H(C[5]C[5,6a]O[5]C)	107.9100	0.000	1	109.7812	1.107	5	109.7031	0.636	11	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	110.0050	0.000	1	110.0050	0.000	1	109.2562	0.783	12	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCC)(H)2	H(C[5]C[5]O[5]C)	109.4515	0.780	6	109.4515	0.609	6	109.2562	0.783	12	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCO)(H)2	H(C[5]C[5]O[5]C)	108.3605	0.593	2	108.3605	0.352	2	109.2562	0.783	12	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(COO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(COO)(H)2	H(C[5]C[5]O[5]C)	109.8875	0.299	2	109.8875	0.089	2	109.2562	0.783	12	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	107.8640	0.000	1	107.8640	0.000	1	109.2562	0.783	12	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]O)(O[5]C[3,5])(CC[6a]HH)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[3,5]O)(O[5]C[3,5])(CC[6a]HH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	110.7200	0.000	1	110.7200	0.000	1	110.0355	0.937	2	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(H){2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	109.3510	0.000	1	109.3510	0.000	1	110.0355	0.937	2	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H)	C(C[5]C[5]S[5]H)(CNO)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H){1|C<3>,1|N<2>}	C(C[5]C[5]S[5]H)(CNO)(H)2	H(C[5]C[5]S[5]C)	108.0940	0.000	1	108.9525	1.474	2	108.7560	0.853	3	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H)	C(C[5]C[5]S[5]H)(CNO)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H){1|C<4>,1|N<2>}	C(C[5]C[5]S[5]H)(CNO)(H)2	H(C[5]C[5]S[5]C)	109.8110	0.000	1	108.9525	1.474	2	108.7560	0.853	3	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H)	C(C[5]C[5]S[5]H)(COO)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H){1|C<4>,1|S<1>}	C(C[5]C[5]S[5]H)(COO)(H)2	H(C[5]C[5]S[5]C)	108.3630	0.000	1	108.3630	0.000	1	108.7560	0.853	3	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]N[5]O[5]H)(CC[5a]O)(H)2	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]N[5]O[5]H)(CC[5a]O)(H)2	H(C[5]N[5]O[5]C)	110.3490	0.000	1	110.3490	0.000	1	110.1632	0.191	5	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]N[5]O[5]H)(CC[6a]O)(H)2	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]N[5]O[5]H)(CC[6a]O)(H)2	H(C[5]N[5]O[5]C)	110.1940	0.317	2	110.1940	0.100	2	110.1632	0.191	5	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:1:1:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H)	C(C[5]N[5]O[5]H)(COO)(H)2	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]N[5]O[5]H)(COO)(H)2	H(C[5]N[5]O[5]C)	110.0395	0.773	2	110.0395	0.597	2	110.1632	0.191	5	109.5009	0.789	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:2:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	H(C[5]C[5]O[5]C)	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:3:1:	4:	C[5,6a]-3:N[5]-2:C-4:H-1:	C[5]-4:N-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCHN)(H)	C(C[5]C[5,6a]N[5]H)(NNiC)(COO)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCHN)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(NNiC)(COO)(H)	H(C[5]C[5,6a]N[5]C)	109.6910	0.396	2	109.6910	0.157	2	109.6910	0.157	2	109.9599	0.566	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:3:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(CCCH)(H)	C(C[5]C[5]O[5]H)(COO)2(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(CCCH)(H){4|C<3>}	C(C[5]C[5]O[5]H)(COO)2(H)	H(C[5]C[5]O[5]C)	109.0650	0.000	1	109.0650	0.000	1	109.0650	0.000	1	109.9599	0.566	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:3:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:N-3:H-1:	C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(COO)(NCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]O)(O[5]C[5])(CCHN)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(COO)(NCH)(H)	H(C[5]C[5]O[5]C)	111.4140	0.000	1	111.4140	0.000	1	111.4140	0.000	1	109.9599	0.566	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:3:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H){1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	H(C[5]C[5]O[5]C)	109.6690	0.000	1	109.6690	0.000	1	109.9675	0.178	2	109.9599	0.566	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:3:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	H(C[5]C[5]O[5]C)	110.2660	0.000	1	110.2660	0.000	1	109.9675	0.178	2	109.9599	0.566	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:3:1:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H)	C(C[5]N[5]O[5]H)(CC[6a]O)2(H)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]N[5]O[5]H)(CC[6a]O)2(H)	H(C[5]N[5]O[5]C)	109.9230	0.000	1	109.9230	0.000	1	109.9230	0.000	1	109.9599	0.566	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:4:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	H(C[5]C[5]O[5]C)	108.9587	0.537	4	108.9587	0.289	4	108.9587	0.289	4	108.9587	0.289	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:3:4:3:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:N-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCCN)(H)	C(C[5]C[5]O[5]H)(NC[6a]H)(CH3)(COO)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCCN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(NC[6a]H)(CH3)(COO)	H(C[5]C[5]O[5]C)	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	H(C[5]C[5,6a]O[5]C)	109.1447	0.219	3	109.1447	0.048	3	109.6623	0.519	13	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CCFF)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CCFF)(H)2	H(C[5]C[5,6a]O[5]C)	110.2720	0.000	1	110.2720	0.000	1	109.6623	0.519	13	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CCHH)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CCHH)(H)2	H(C[5]C[5,6a]O[5]C)	109.3740	0.000	1	109.3740	0.000	1	109.6623	0.519	13	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	H(C[5]C[5,6a]O[5]C)	110.4810	0.000	1	110.4810	0.000	1	109.6623	0.519	13	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	H(C[5]C[5,6a]O[5]C)	110.5810	0.000	1	110.5810	0.000	1	109.6623	0.519	13	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|Cl<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	H(C[5]C[5,6a]O[5]C)	109.9480	0.000	1	109.2820	0.744	4	109.6623	0.519	13	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	H(C[5]C[5,6a]O[5]C)	109.0600	0.906	3	109.2820	0.744	4	109.6623	0.519	13	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	H(C[5]C[5,6a]O[5]C)	110.0550	0.000	1	110.0550	0.000	1	109.6623	0.519	13	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(CCHH)(H){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	H(C[5]C[5,6a]O[5]C)	110.2850	0.000	1	110.2850	0.000	1	109.6623	0.519	13	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHS)(H)	C(C[5]C[5,6a]O[5]H)(SFOO)(H)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(SFOO)(H)2	H(C[5]C[5,6a]O[5]C)	110.1860	0.000	1	110.1860	0.000	1	110.1860	0.000	1	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5])(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5])(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CC[3]HH)(H){1|C<4>,1|O<1>}	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	108.5415	0.356	2	108.5415	0.127	2	108.5415	0.127	2	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(C[5]C[5]O[5]C)	110.0420	0.000	1	110.0420	0.000	1	109.5138	0.148	4	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	109.2920	0.000	1	109.2920	0.000	1	109.5138	0.148	4	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(C[5]C[5]O[5]C)	109.1760	0.000	1	109.1760	0.000	1	109.5138	0.148	4	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	H(C[5]C[5]O[5]C)	109.5450	0.000	1	109.5450	0.000	1	109.5138	0.148	4	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]HH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	109.9250	0.000	1	109.9250	0.000	1	108.6353	1.249	3	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]O)(O[5]C[5])(CC[5]HH)(H){1|C<3>,1|O<1>}	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	107.9905	0.053	2	107.9905	0.003	2	108.6353	1.249	3	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]N[5]O[5]H)(CCHH)(H)2	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]N[5]O[5]H)(CCHH)(H)2	H(C[5]N[5]O[5]C)	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:1:1:	4:	O[5]-3:O[5]-2:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5]Mg)(O[5]C[5])(CHHN)(H)	C(C[5]O[5]2H)(NMgCC)(H)2	H(C[5]O[5]2C)	C[5](O[5]C[5]Mg)(O[5]C[5])(CHHN)(H){4|H<1>}	C(C[5]O[5]2H)(NMgCC)(H)2	H(C[5]O[5]2C)	108.5395	0.340	4	108.5395	0.116	4	108.5395	0.116	4	109.3399	0.637	29	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	H(C[5]C[5,6a]O[5]C)	109.7580	0.686	6	109.7580	0.470	6	109.7580	0.470	6	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(C[5]C[5]O[5]C)	103.2290	0.000	1	103.2290	0.000	1	109.3155	2.937	26	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(C[5]C[5]O[5]C)	109.7350	0.000	1	109.7350	0.000	1	109.3155	2.937	26	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	H(C[5]C[5]O[5]C)	108.6480	0.000	1	108.6480	0.000	1	109.3155	2.937	26	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	H(C[5]C[5]O[5]C)	109.3785	0.004	2	109.3785	0.000	2	109.3155	2.937	26	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	109.4690	0.000	1	109.4690	0.000	1	109.3155	2.937	26	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	110.1050	0.000	1	109.5829	1.856	19	109.3155	2.937	26	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|N<2>,1|O<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	110.6080	0.000	1	109.5829	1.856	19	109.3155	2.937	26	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|N<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	109.1390	0.925	2	109.5829	1.856	19	109.3155	2.937	26	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	109.5390	1.484	15	109.5829	1.856	19	109.3155	2.937	26	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]C)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]C)(O[5]C[5])(CCHO)(H){1|O<1>}	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(C[5]C[5]O[5]C)	110.2900	0.000	1	110.2900	0.000	1	109.3155	2.937	26	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]C)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]C)(O[5]C[5])(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]O[5]C)	110.9040	0.000	1	110.9040	0.000	1	110.9040	0.000	1	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	H(C[5]C[5]O[5]C)	105.7260	0.000	1	105.7260	0.000	1	105.7260	0.000	1	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]Br)(O[5]C[5])(CC[6]HO)(H)	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]Br)(O[5]C[5])(CC[6]HO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	H(C[5]C[5]O[5]C)	109.7950	0.000	1	109.7950	0.000	1	109.5230	0.148	2	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H){1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	H(C[5]C[5]O[5]C)	109.2510	0.000	1	109.2510	0.000	1	109.5230	0.148	2	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	N[5]-3:S[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H)	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	H(C[5]N[5]S[5]C)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H){1|C<3>,3|H<1>}	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	H(C[5]N[5]S[5]C)	106.8310	0.000	1	106.8310	0.000	1	106.7138	8.010	5	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	N[5]-3:S[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H)	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	H(C[5]N[5]S[5]C)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H){1|C<3>,3|H<1>}	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	H(C[5]N[5]S[5]C)	106.6845	3.267	4	106.6845	10.675	4	106.7138	8.010	5	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:1:	4:	N[5]-3:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	H(C[5]N[5]S[5]C)	C[5](N[5]C[5]C)(S[5]C[5])(CC[5]HO)(H){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	H(C[5]N[5]S[5]C)	109.2050	0.000	1	109.2050	0.000	1	109.2050	0.000	1	109.0286	3.781	42	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:2:2:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-2:C-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(CN)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]O[5]H)(CH3)(CN)2	H(C[5]C[5,6a]O[5]C)	109.9140	0.000	1	109.9140	0.000	1	109.9140	0.000	1	109.9140	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:3:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	H(C[5]C[5]O[5]C)	108.1020	0.000	1	108.4380	0.226	2	108.9377	0.408	4	109.0044	0.328	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:3:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	H(C[5]C[5]O[5]C)	108.7740	0.000	1	108.4380	0.226	2	108.9377	0.408	4	109.0044	0.328	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:3:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CC[6a]FF)(NCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[6a]FF)(NCH)(H)	H(C[5]C[5]O[5]C)	109.4470	0.000	1	109.4470	0.000	1	108.9377	0.408	4	109.0044	0.328	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:3:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CF3)(NHS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CF3)(NHS)(H)	H(C[5]C[5]O[5]C)	109.4280	0.000	1	109.4280	0.000	1	108.9377	0.408	4	109.0044	0.328	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:3:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6a]H)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6a]H)(H)	H(C[5]C[5]O[5]C)	109.2710	0.000	1	109.2710	0.000	1	109.2710	0.000	1	109.0044	0.328	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:3:3:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CC3)(H)	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CC3)(H){1|H<1>,4|C<3>}	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	H(C[5]C[5,6a]O[5]C)	110.5910	0.000	1	110.5910	0.000	1	110.4810	0.024	2	110.4810	0.024	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:3:3:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H)	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	H(C[5]C[5,6a]O[5]C)	110.3710	0.000	1	110.3710	0.000	1	110.4810	0.024	2	110.4810	0.024	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:1:	4:	C[5]-3:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(H){1|C<3>,1|S<2>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	108.1365	5.922	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	H(C[5]C[5]O[5]C)	109.5340	0.000	1	109.5340	0.000	1	109.1150	0.351	2	108.1365	5.922	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	H(C[5]C[5]O[5]C)	108.6960	0.000	1	108.6960	0.000	1	109.1150	0.351	2	108.1365	5.922	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	H(C[5]C[5]O[5]C)	108.7520	0.515	2	108.7520	0.265	2	108.8950	0.194	3	108.1365	5.922	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:1:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	109.1810	0.000	1	109.1810	0.000	1	108.8950	0.194	3	108.1365	5.922	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:1:	4:	N[5]-3:C[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]P[5]C)(C[5]O[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](N[5]P[5]C)(C[5]O[5])(CCCH)(H){1|B<4>,1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	108.1365	5.922	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:1:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H)	C(C[5]N[5]O[5]H)(CH3)2(H)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H){4|C<3>}	C(C[5]N[5]O[5]H)(CH3)2(H)	H(C[5]N[5]O[5]C)	100.7610	0.000	1	100.7610	0.000	1	106.5003	24.734	3	108.1365	5.922	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:1:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H)	C(C[5]N[5]O[5]H)(CCHH)2(H)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	C(C[5]N[5]O[5]H)(CCHH)2(H)	H(C[5]N[5]O[5]C)	109.5400	0.000	1	109.5400	0.000	1	106.5003	24.734	3	108.1365	5.922	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:1:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H)	C(C[5]N[5]O[5]H)(CH3)2(H)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5]H)(CH3)2(H)	H(C[5]N[5]O[5]C)	109.2000	0.000	1	109.2000	0.000	1	106.5003	24.734	3	108.1365	5.922	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:1:	4:	N[5]-3:S[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(CCCH)(H)	C(C[5]N[5]S[5]H)(CH3)2(H)	H(C[5]N[5]S[5]C)	C[5](N[5]C[5]C)(S[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]N[5]S[5]H)(CH3)2(H)	H(C[5]N[5]S[5]C)	108.1560	0.030	2	108.1560	0.001	2	108.1560	0.001	2	108.1365	5.922	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:2:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:3:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H)	C(C[5]C[5]O[5]H)(CH3)2(CCH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CH3)2(CCH)	H(C[5]C[5]O[5]C)	110.1190	0.000	1	110.1190	0.000	1	110.1190	0.000	1	110.1190	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H)	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	H(C[5]C[5]O[5]C)	107.6760	0.000	1	107.6760	0.000	1	108.6576	0.344	5	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	H(C[5]C[5]O[5]C)	108.9030	0.240	4	108.9030	0.058	4	108.6576	0.344	5	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	C[5]-3:P[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]C)(P[5]C[5])(CC3)(H)	C(C[5]C[5]P[5]H)(CH3)3	H(C[5]C[5]P[5]C)	C[5](C[5]C[5]C)(P[5]C[5])(CC3)(H){1|C<3>,1|O<2>}	C(C[5]C[5]P[5]H)(CH3)3	H(C[5]C[5]P[5]C)	107.1050	0.011	2	107.1050	0.000	2	107.1050	0.000	2	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[3x5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	109.2920	0.000	1	109.2920	0.000	1	108.8386	1.193	26	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	107.9255	1.048	10	108.8205	1.234	25	108.8386	1.193	26	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	108.2110	0.000	1	108.8205	1.234	25	108.8386	1.193	26	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	109.6060	0.544	4	108.8205	1.234	25	108.8386	1.193	26	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	109.1530	0.754	4	108.8205	1.234	25	108.8386	1.193	26	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	109.4355	0.088	2	108.8205	1.234	25	108.8386	1.193	26	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	110.0953	0.320	3	108.8205	1.234	25	108.8386	1.193	26	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[5]N[5,5]O[5]H)(CH3)3	H(C[5]N[5,5]O[5]C)	108.8530	0.000	1	108.8205	1.234	25	108.8386	1.193	26	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5,5]-3:S[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CC3)(H)	C(C[5]N[5,5]S[5]H)(CH3)3	H(C[5]N[5,5]S[5]C)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]N[5,5]S[5]H)(CH3)3	H(C[5]N[5,5]S[5]C)	107.6507	1.410	3	107.8285	1.451	4	107.8285	1.451	4	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5,5]-3:S[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CC3)(H)	C(C[5]N[5,5]S[5]H)(CH3)3	H(C[5]N[5,5]S[5]C)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CC3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]N[5,5]S[5]H)(CH3)3	H(C[5]N[5,5]S[5]C)	108.3620	0.000	1	107.8285	1.451	4	107.8285	1.451	4	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5,6,6]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H)	C(C[5]N[5,6,6]O[5]H)(CH3)3	H(C[5]N[5,6,6]O[5]C)	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]N[5,6,6]O[5]H)(CH3)3	H(C[5]N[5,6,6]O[5]C)	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5,6]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H)	C(C[5]N[5,6]O[5]H)(CH3)3	H(C[5]N[5,6]O[5]C)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]N[5,6]O[5]H)(CH3)3	H(C[5]N[5,6]O[5]C)	109.2540	0.000	1	109.2540	0.000	1	109.2540	0.000	1	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5,6]-3:S[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CC3)(H)	C(C[5]N[5,6]S[5]H)(CH3)3	H(C[5]N[5,6]S[5]C)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CC3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[5]N[5,6]S[5]H)(CH3)3	H(C[5]N[5,6]S[5]C)	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	C(C[5]N[5]O[5]H)(CH3)3	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5]H)(CH3)3	H(C[5]N[5]O[5]C)	109.0500	0.000	1	109.0810	0.498	7	108.9027	0.499	9	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	C(C[5]N[5]O[5]H)(CH3)3	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]N[5]O[5]H)(CH3)3	H(C[5]N[5]O[5]C)	109.6080	0.282	3	109.0810	0.498	7	108.9027	0.499	9	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	C(C[5]N[5]O[5]H)(CH3)3	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<4>,3|H<1>}	C(C[5]N[5]O[5]H)(CH3)3	H(C[5]N[5]O[5]C)	109.0080	0.105	2	109.0810	0.498	7	108.9027	0.499	9	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	C(C[5]N[5]O[5]H)(CH3)3	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){2|C<4>,2|H<1>}	C(C[5]N[5]O[5]H)(CH3)3	H(C[5]N[5]O[5]C)	107.6770	0.000	1	109.0810	0.498	7	108.9027	0.499	9	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CC3)(H)	C(C[5]N[5]O[5]H)(CH3)3	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]S)(O[5]C[5])(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5]H)(CH3)3	H(C[5]N[5]O[5]C)	108.2785	0.074	2	108.2785	0.006	2	108.9027	0.499	9	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:2:4:1:	4:4:4:4:	4:	P[3,5]-3:P[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)(H)	C(C[5]P[3,5]P[5]H)(CH3)3	H(C[5]P[3,5]P[5]C)	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)(H){1|H<1>,2|C<4>}	C(C[5]P[3,5]P[5]H)(CH3)3	H(C[5]P[3,5]P[5]C)	104.8270	0.000	1	104.8270	0.000	1	104.8270	0.000	1	108.6238	1.309	50	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	3:3:4:4:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]C)2(CC[5]2C)(H)	C(C[5]N[5]O[5])2(C[5]C[5]2H)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]C)2(CC[5]2C)(H){2|C<4>}	C(C[5]N[5]O[5])2(C[5]C[5]2H)(CH3)	H(C[5]C[5]2C)	108.6850	0.000	1	108.6850	0.000	1	108.6850	0.000	1	108.6850	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	3:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]HH)(H){1|C<4>,1|S<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	109.5858	0.118	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	3:4:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]N[5]2H)(H)2	H(C[5]N[5]2C)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CC[6a]HH)(H){4|C<3>}	C(C[6a]C[6a]2)(C[5]N[5]2H)(H)2	H(C[5]N[5]2C)	109.0750	0.000	1	109.0750	0.000	1	109.5077	0.141	3	109.5858	0.118	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	3:4:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]N[5]2H)(H)2	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CC[6a]HH)(H){2|O<1>}	C(C[6a]C[6a]2)(C[5]N[5]2H)(H)2	H(C[5]N[5]2C)	109.7240	0.021	2	109.7240	0.000	2	109.5077	0.141	3	109.5858	0.118	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(COO)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(COO)(H)	H(C[5]C[5,6a]C[5]C)	109.2920	0.000	1	109.2920	0.000	1	109.2920	0.000	1	108.9887	1.207	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2H)(H)	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2H)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]C)	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	108.9887	1.207	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	3:4:3:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[5]S)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]N[5]2H)(COO)(H)	H(C[5]N[5]2C)	C[5](N[5]C[5]S)2(CC[6a]CH)(H){4|H<1>}	C(C[6a]C[6a]2)(C[5]N[5]2H)(COO)(H)	H(C[5]N[5]2C)	109.9040	0.000	1	109.9040	0.000	1	109.9040	0.000	1	108.9887	1.207	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	3:4:4:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	H(C[5]C[5]2C)	109.7210	0.000	1	109.1010	0.769	2	109.4325	0.613	4	109.4325	0.613	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	3:4:4:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	H(C[5]C[5]2C)	108.4810	0.000	1	109.1010	0.769	2	109.4325	0.613	4	109.4325	0.613	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	3:4:4:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	H(C[5]C[5]2C)	109.7640	0.795	2	109.7640	0.632	2	109.4325	0.613	4	109.4325	0.613	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	3:4:4:4:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[5a]CC)(H){1|C<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(CH3)2	H(C[5]C[5]2C)	109.5345	0.026	2	109.5345	0.001	2	109.5345	0.001	2	109.0748	0.639	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	3:4:4:4:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[5]Al)(C[5]C[5]H)(CC[5a]CC)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]Al)(C[5]C[5]H)(CC[5a]CC)(H){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	H(C[5]C[5]N[5]C)	108.7683	0.962	3	108.7683	0.925	3	108.7683	0.925	3	109.0748	0.639	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	B[5]-3:B[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](B[5]N[5]N)2(CH3)(H)	C(C[5]B[5]2H)(H)3	H(C[5]B[5]2C)	C[5](B[5]N[5]N)2(CH3)(H){2|C<3>}	C(C[5]B[5]2H)(H)3	H(C[5]B[5]2C)	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C(C[5]C[5,5a]C[5,6a]H)(H)3	H(C[5]C[5,5a]C[5,6a]C)	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	C(C[5]C[5,5a]C[5,6a]H)(H)3	H(C[5]C[5,5a]C[5,6a]C)	109.6590	0.000	1	109.6590	0.000	1	109.6310	0.002	2	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C(C[5]C[5,5a]C[5,6a]H)(H)3	H(C[5]C[5,5a]C[5,6a]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	C(C[5]C[5,5a]C[5,6a]H)(H)3	H(C[5]C[5,5a]C[5,6a]C)	109.6030	0.000	1	109.6030	0.000	1	109.6310	0.002	2	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H)	C(C[5]C[5,5a]N[5]H)(H)3	H(C[5]C[5,5a]N[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	C(C[5]C[5,5a]N[5]H)(H)3	H(C[5]C[5,5a]N[5]C)	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|C<3>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.8330	0.000	1	109.8800	0.063	5	109.8800	0.063	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.8918	0.287	4	109.8800	0.063	5	109.8800	0.063	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CH3)(H)	C(C[5]C[5,6a]2H)(H)3	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CH3)(H){1|H<1>,5|C<3>}	C(C[5]C[5,6a]2H)(H)3	H(C[5]C[5,6a]2C)	110.3730	0.082	3	110.3730	0.007	3	109.5174	0.842	9	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H)	C(C[5]C[5,6a]2H)(H)3	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]2H)(H)3	H(C[5]C[5,6a]2C)	108.1160	0.451	2	109.0897	0.686	6	109.5174	0.842	9	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H)	C(C[5]C[5,6a]2H)(H)3	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(H)3	H(C[5]C[5,6a]2C)	109.5765	0.357	4	109.0897	0.686	6	109.5174	0.842	9	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(CF3)(H)	C(C[5]C[5,6a]C[5]H)(F)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(CF3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(F)3	H(C[5]C[5,6a]C[5]C)	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	108.1500	0.000	1	108.6855	0.429	4	108.7960	0.383	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	109.2390	0.245	2	108.6855	0.429	4	108.7960	0.383	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	108.1140	0.000	1	108.6855	0.429	4	108.7960	0.383	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	109.2380	0.000	1	109.2380	0.000	1	108.7960	0.383	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(CF3)(H)	C(C[5]C[5,6a]N[5]H)(F)3	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(CF3)(H){1|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(F)3	H(C[5]C[5,6a]N[5]C)	110.0690	0.000	1	110.0690	0.000	1	109.5825	0.473	2	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(H)	C(C[5]C[5,6a]N[5]H)(F)3	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5]H)(F)3	H(C[5]C[5,6a]N[5]C)	109.0960	0.000	1	109.0960	0.000	1	109.5825	0.473	2	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(CH3)(H){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	109.5550	0.000	1	109.5550	0.000	1	109.3894	0.105	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	109.6660	0.000	1	109.6660	0.000	1	109.3894	0.105	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	109.5700	0.000	1	109.5700	0.000	1	109.3894	0.105	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	109.2890	0.000	1	109.2890	0.000	1	109.3894	0.105	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CH3)(H){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	108.8670	0.000	1	108.8670	0.000	1	109.3894	0.105	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H){1|C<4>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.4380	0.000	1	109.5465	2.458	2	106.6790	10.636	6	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.6550	0.000	1	109.5465	2.458	2	106.6790	10.636	6	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.1810	0.000	1	108.1810	0.000	1	106.6790	10.636	6	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)(H){1|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	101.5570	0.000	1	101.5570	0.000	1	106.6790	10.636	6	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)2(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]C)2(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	106.9540	0.000	1	106.9540	0.000	1	106.6790	10.636	6	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	104.2890	0.000	1	104.2890	0.000	1	106.6790	10.636	6	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(CBrHH)(H)	C(C[5]C[5]N[5]H)(Br)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]S)(CBrHH)(H){1|C<3>,1|H<1>,1|S<3>}	C(C[5]C[5]N[5]H)(Br)(H)2	H(C[5]C[5]N[5]C)	107.3700	3.555	2	107.3700	12.640	2	107.3700	12.640	2	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(CCl3)(H)	C(C[5]C[5]N[5]H)(Cl)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(CCl3)(H){3|C<3>}	C(C[5]C[5]N[5]H)(Cl)3	H(C[5]C[5]N[5]C)	105.7310	0.000	1	105.7310	0.000	1	105.7310	0.000	1	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	110.2870	0.000	1	110.2870	0.000	1	108.9931	4.911	15	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.7030	0.000	1	109.7030	0.000	1	108.9931	4.911	15	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]N)(N[5]C[5]H)(CH3)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.4190	0.342	2	109.4190	0.117	2	108.9931	4.911	15	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CH3)(H){4|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.8800	0.000	1	109.8800	0.000	1	108.9931	4.911	15	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	102.2160	0.000	1	102.2160	0.000	1	108.9931	4.911	15	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H){1|H<1>,1|S<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	110.0410	0.000	1	110.4747	0.158	3	108.9931	4.911	15	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H){1|H<1>,2|C<4>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	110.6915	0.182	2	110.4747	0.158	3	108.9931	4.911	15	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	106.7640	0.100	2	106.7640	0.010	2	108.9931	4.911	15	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.4130	0.000	1	109.7550	0.071	4	108.9931	4.911	15	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	110.0660	0.000	1	109.7550	0.071	4	108.9931	4.911	15	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){2|C<4>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.7740	0.000	1	109.7550	0.071	4	108.9931	4.911	15	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.7670	0.000	1	109.7550	0.071	4	108.9931	4.911	15	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CH3)(H)	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	108.9320	0.000	1	108.9320	0.000	1	108.9320	0.000	1	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H)	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	109.9605	0.281	2	109.9605	0.079	2	109.5022	0.327	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)(H)	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)(H){1|H<1>,1|O<1>,3|C<3>}	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	109.1320	0.000	1	109.1320	0.000	1	109.5022	0.327	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)(H)	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)(H){1|O<1>,3|C<4>}	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	108.7180	0.000	1	108.7180	0.000	1	109.5022	0.327	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(CH3)(H)	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(CH3)(H){1|C<3>,1|H<1>,2|O<1>,2|O<2>}	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	109.7400	0.000	1	109.7400	0.000	1	109.5022	0.327	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	N[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H)	C(C[5]N[5,6a]C[5]H)(H)3	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H){1|N<2>,1|O<1>,2|C<3>}	C(C[5]N[5,6a]C[5]H)(H)3	H(C[5]N[5,6a]C[5]C)	110.0320	0.000	1	110.0320	0.000	1	110.0320	0.000	1	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5]C)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[5]C)(CF3)(H){1|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.7860	0.000	1	109.7860	0.000	1	109.7860	0.000	1	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H){2|O<2>,3|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.4745	0.115	2	109.4745	0.013	2	109.1888	0.515	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C[6])(C[5]N[5,5]O)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]C[6])(C[5]N[5,5]O)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.4870	0.000	1	109.4870	0.000	1	109.1888	0.515	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)(H){2|C<3>,2|C<4>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	107.9120	0.000	1	107.9120	0.000	1	109.1888	0.515	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CH3)(H){1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.5960	0.000	1	109.5960	0.000	1	109.1888	0.515	5	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C)2(CH3)(H)	C(C[5]N[5]2H)(H)3	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CH3)(H){2|C<3>,2|H<1>}	C(C[5]N[5]2H)(H)3	H(C[5]N[5]2C)	109.0980	0.264	2	109.0980	0.070	2	108.1357	2.813	3	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)(H)	C(C[5]N[5]2H)(H)3	H(C[5]N[5]2C)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>,2|C<4>}	C(C[5]N[5]2H)(H)3	H(C[5]N[5]2C)	106.2110	0.000	1	106.2110	0.000	1	108.1357	2.813	3	108.9576	3.109	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:2:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	C(C[5]C[5,6a]2H)(OC)(H)2	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(OC)(H)2	H(C[5]C[5,6a]2C)	109.6946	1.518	52	109.6946	2.304	52	109.5962	2.773	53	109.5931	2.396	64	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:2:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	C(C[5]C[5,6a]2H)(OC[5])(H)2	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(OC[5])(H)2	H(C[5]C[5,6a]2C)	104.4800	0.000	1	104.4800	0.000	1	109.5962	2.773	53	109.5931	2.396	64	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:2:1:1:	4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	C(C[5]C[5,6a]N[5,5]H)(CN)(H)2	H(C[5]C[5,6a]N[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C(C[5]C[5,6a]N[5,5]H)(CN)(H)2	H(C[5]C[5,6a]N[5,5]C)	110.4180	0.000	1	110.4180	0.000	1	110.4180	0.000	1	109.5931	2.396	64	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:2:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CN)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(CN)(H)2	H(C[5]C[5,6a]N[5]C)	109.4260	0.000	1	109.4260	0.000	1	109.4260	0.000	1	109.5931	2.396	64	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:2:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H)	C(C[5]C[5,6a]N[5]H)(OC)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5]H)(OC)(H)2	H(C[5]C[5,6a]N[5]C)	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	109.5931	2.396	64	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:2:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:Se-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CSeHH)(H)	C(C[5]C[5,6a]N[5]H)(SeC[6a])(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CSeHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(SeC[6a])(H)2	H(C[5]C[5,6a]N[5]C)	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	109.5931	2.396	64	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:2:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	109.8180	0.312	3	109.8180	0.097	3	109.8180	0.097	3	109.5931	2.396	64	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:2:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]H)(CHHS)(H)	C(C[5]C[5]N[5]H)(SC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]H)(CHHS)(H){1|O<1>}	C(C[5]C[5]N[5]H)(SC)(H)2	H(C[5]C[5]N[5]C)	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	109.5931	2.396	64	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CHHS)(H)	C(C[5]N[5,5]C[5]H)(SC[6])(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CHHS)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[5]N[5,5]C[5]H)(SC[6])(H)2	H(C[5]N[5,5]C[5]C)	108.1970	0.000	1	108.1970	0.000	1	108.1970	0.000	1	109.5931	2.396	64	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHHO)(H){1|C<4>,1|O<1>,3|C<3>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	111.0480	0.000	1	111.0480	0.000	1	111.0480	0.000	1	109.5931	2.396	64	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:2:1:1:	4:	S[5]-3:S[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](S[5]C[5]O)2(CHHO)(H)	C(C[5]S[5]2H)(OC)(H)2	H(C[5]S[5]2C)	C[5](S[5]C[5]O)2(CHHO)(H){4|H<1>}	C(C[5]S[5]2H)(OC)(H)2	H(C[5]S[5]2C)	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	109.5931	2.396	64	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CC[6a]HH)(H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CC[6a]HH)(H){1|O<1>,4|C<3>}	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H)	C(C[5]C[5,6a]C[5,6]H)(CCO)(H)2	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5,6]H)(CCO)(H)2	H(C[5]C[5,6a]C[5,6]C)	110.4450	0.000	1	110.4450	0.000	1	110.4450	0.000	1	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6]HH)(H)	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6]HH)(H){1|H<1>,5|C<3>}	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	H(C[5]C[5,6a]2C)	110.0010	0.000	1	110.0010	0.000	1	110.0010	0.000	1	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]HH)(H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]HH)(H){1|H<1>,5|C<3>}	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]2C)	110.4643	0.911	3	110.4643	0.829	3	109.3321	6.691	7	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]2C)	109.6570	0.327	2	107.6693	11.906	3	109.3321	6.691	7	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H){2|O<2>,4|C<3>}	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]2C)	103.6940	0.000	1	107.6693	11.906	3	109.3321	6.691	7	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CC[6a]HH)(H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CC[6a]HH)(H){6|C<3>}	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]2C)	110.9240	0.000	1	110.9240	0.000	1	109.3321	6.691	7	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	H(C[5]C[5,6a]C[5]C)	110.3030	0.296	3	110.3030	0.088	3	109.5433	0.884	10	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	109.3680	0.000	1	109.3680	0.000	1	109.5433	0.884	10	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5])(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(CCH)(H)2	H(C[5]C[5,6a]C[5]C)	109.8205	0.691	2	109.8205	0.477	2	109.5433	0.884	10	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCN)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CCN)(H)2	H(C[5]C[5,6a]C[5]C)	109.6430	0.000	1	109.6430	0.000	1	109.5433	0.884	10	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]C)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]C)(H)2	H(C[5]C[5,6a]C[5]C)	109.9500	0.000	1	109.9500	0.000	1	109.5433	0.884	10	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	108.2820	0.000	1	108.2820	0.000	1	109.5433	0.884	10	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	107.6400	0.000	1	107.6400	0.000	1	109.5433	0.884	10	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	H(C[5]C[5,6a]C[5]C)	112.0350	0.000	1	112.0350	0.000	1	112.0350	0.000	1	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[5a]C[5a]S[5a])(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[5a]C[5a]S[5a])(H)2	H(C[5]C[5,6a]C[5]C)	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]C[5]C)	107.6830	0.000	1	107.6830	0.000	1	107.6830	0.000	1	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	C(C[5]C[5,6a]N[5,5]H)(COO)(H)2	H(C[5]C[5,6a]N[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C(C[5]C[5,6a]N[5,5]H)(COO)(H)2	H(C[5]C[5,6a]N[5,5]C)	110.4703	0.765	3	110.4703	0.585	3	110.4703	0.585	3	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5,6]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H)	C(C[5]C[5,6a]N[5,6]H)(COO)(H)2	H(C[5]C[5,6a]N[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C(C[5]C[5,6a]N[5,6]H)(COO)(H)2	H(C[5]C[5,6a]N[5,6]C)	110.3492	0.602	4	110.3492	0.362	4	110.3492	0.362	4	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5,6a]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]N[5,6a]H)(COO)(H)2	H(C[5]C[5,6a]N[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]N[5,6a]H)(COO)(H)2	H(C[5]C[5,6a]N[5,6a]C)	110.3610	0.000	1	110.3610	0.000	1	110.3610	0.000	1	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CCO)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(CCO)(H)2	H(C[5]C[5,6a]N[5]C)	109.8800	0.000	1	109.8800	0.000	1	109.9448	1.060	13	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(COO)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(COO)(H)2	H(C[5]C[5,6a]N[5]C)	110.7965	0.169	2	110.7965	0.029	2	109.9448	1.060	13	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(COO)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5]H)(COO)(H)2	H(C[5]C[5,6a]N[5]C)	111.3310	0.000	1	110.4350	1.606	2	109.9448	1.060	13	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(COO)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5]H)(COO)(H)2	H(C[5]C[5,6a]N[5]C)	109.5390	0.000	1	110.4350	1.606	2	109.9448	1.060	13	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CCH)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(CCH)(H)2	H(C[5]C[5,6a]N[5]C)	109.0910	0.000	1	109.0910	0.000	1	109.9448	1.060	13	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CCO)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(CCO)(H)2	H(C[5]C[5,6a]N[5]C)	110.1230	0.000	1	110.1230	0.000	1	109.9448	1.060	13	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	H(C[5]C[5,6a]N[5]C)	108.8870	0.000	1	108.8870	0.000	1	109.9448	1.060	13	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]N[5]C)	110.8820	0.771	2	110.8820	0.594	2	109.9448	1.060	13	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(COO)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|F<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(COO)(H)2	H(C[5]C[5,6a]N[5]C)	110.2700	0.000	1	110.2700	0.000	1	109.9448	1.060	13	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(CCHH)(H){1|H<1>,2|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	H(C[5]C[5,6a]N[5]C)	108.4025	0.230	2	108.4025	0.053	2	109.9448	1.060	13	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]N[5]C)	110.2720	0.000	1	110.2720	0.000	1	109.7566	0.122	5	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]N[5]C)	109.7130	0.330	2	109.7130	0.109	2	109.7566	0.122	5	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]HH)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]N[5]C)	109.6420	0.000	1	109.6420	0.000	1	109.7566	0.122	5	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CC[6a]HH)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]N[6a])(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]N[6a])(H)2	H(C[5]C[5,6a]N[5]C)	109.4430	0.000	1	109.4430	0.000	1	109.7566	0.122	5	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:S[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6a]S[5]H)(CN[5a]O)(H)2	H(C[5]C[5,6a]S[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]O)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]S[5]H)(CN[5a]O)(H)2	H(C[5]C[5,6a]S[5]C)	108.2390	0.000	1	108.2390	0.000	1	108.2390	0.000	1	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H)	C(C[5]C[5]2H)(CNO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H){1|C<4>,1|N<3>}	C(C[5]C[5]2H)(CNO)(H)2	H(C[5]C[5]2C)	108.8070	0.000	1	108.8070	0.000	1	109.2870	0.461	2	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])2(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5])2(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	109.7670	0.000	1	109.7670	0.000	1	109.2870	0.461	2	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	110.9960	0.000	1	110.9960	0.000	1	109.9542	0.903	10	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]H)(CCH)(H)2	H(C[5]C[5]N[5]C)	110.0690	0.000	1	110.0690	0.000	1	109.9542	0.903	10	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	H(C[5]C[5]N[5]C)	108.9540	0.000	1	108.9540	0.000	1	109.9542	0.903	10	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]O)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>}	C(C[5]C[5]N[5]H)(CCO)(H)2	H(C[5]C[5]N[5]C)	110.4540	0.000	1	110.4540	0.000	1	109.9542	0.903	10	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CNO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(CNO)(H)2	H(C[5]C[5]N[5]C)	108.6130	0.000	1	108.6130	0.000	1	109.9542	0.903	10	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	108.5510	0.000	1	108.5510	0.000	1	109.9542	0.903	10	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(CCH)(H)2	H(C[5]C[5]N[5]C)	110.5870	0.000	2	110.5870	0.000	2	109.9542	0.903	10	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	110.3655	0.931	2	110.3655	0.867	2	109.9542	0.903	10	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]O)(N[5]C[3,5]S)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[3,5]O)(N[5]C[3,5]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.9670	0.000	1	109.9670	0.000	1	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.9570	0.000	1	109.1085	0.046	2	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.2600	0.000	1	109.1085	0.046	2	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.8900	0.000	1	109.4930	0.463	3	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.2945	0.831	2	109.4930	0.463	3	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.9485	0.040	2	109.6052	0.465	11	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.0915	0.135	2	109.6052	0.465	11	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,1|S<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	110.2010	0.000	1	109.6052	0.465	11	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	110.1787	0.972	3	109.6052	0.465	11	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|O<2>,2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.6545	0.011	2	109.6052	0.465	11	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){3|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.5310	0.000	1	109.6052	0.465	11	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.4985	0.240	2	109.3948	0.310	4	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|S<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.6470	0.000	1	109.3948	0.310	4	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.9350	0.000	1	109.3948	0.310	4	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]H)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]H)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	110.5560	0.000	1	110.5560	0.000	1	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.4060	0.000	1	109.3070	0.072	3	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.0040	0.000	1	109.3070	0.072	3	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H){2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.5110	0.000	1	109.3070	0.072	3	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.7085	0.395	2	109.7085	0.156	2	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.9965	0.026	2	108.9965	0.001	2	109.5099	0.334	29	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5,5]C[5]C)	109.9147	1.121	3	109.5605	1.340	4	109.5605	1.340	4	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5,5]C[5]C)	108.4980	0.000	1	109.5605	1.340	4	109.5605	1.340	4	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]N[5,5a]H)(COO)(H)2	H(C[5]C[5,6a]N[5,5a]C)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,4|C<3>}	C(C[5]C[5,6a]N[5,5a]H)(COO)(H)2	H(C[5]C[5,6a]N[5,5a]C)	110.3520	0.000	1	110.3520	0.000	1	110.3520	0.000	1	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CC[6a]HH)(H)	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5,6]C[5]C)	108.7400	0.000	1	108.7400	0.000	1	108.7400	0.000	1	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C(C[5]N[5,6a]C[5]H)(COO)(H)2	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|N<2>,1|O<1>,2|C<3>}	C(C[5]N[5,6a]C[5]H)(COO)(H)2	H(C[5]N[5,6a]C[5]C)	108.6970	0.000	1	108.6970	0.000	1	108.6970	0.000	1	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CCH)(H)2	H(C[5]C[5]N[5]C)	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,4|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.6320	0.000	1	108.6320	0.000	1	109.0285	0.324	16	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,1|S<1>,2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.2275	0.112	2	109.2275	0.013	2	109.0285	0.324	16	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|Cl<1>,1|N<2>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.8030	0.000	1	109.0284	0.384	13	109.0285	0.324	16	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|Cl<1>,1|N<3>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.2987	0.767	6	109.0284	0.384	13	109.0285	0.324	16	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.8282	0.457	4	109.0284	0.384	13	109.0285	0.324	16	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|N<3>,2|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.7305	0.469	2	109.0284	0.384	13	109.0285	0.324	16	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:1:1:	4:	S[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](S[5]C[5]Pd)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]S[5]C)	C[5](S[5]C[5]Pd)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]S[5]C)	108.3060	0.000	1	108.3060	0.000	1	108.3060	0.000	1	109.5610	1.092	116	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:2:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H)	C(C[5]C[5,6a]N[5]H)(CCO)(OH)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(CCO)(OH)(H)	H(C[5]C[5,6a]N[5]C)	108.9050	0.184	2	108.9050	0.034	2	108.9050	0.034	2	109.6554	0.973	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:2:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5,6a]N[5]C)	109.6870	0.270	3	109.6870	0.073	3	109.8194	0.107	5	109.6554	0.973	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:2:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HO)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5,6a]N[5]C)	110.2930	0.000	1	110.2930	0.000	1	109.8194	0.107	5	109.6554	0.973	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:2:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HO)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HO)(H){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5,6a]N[5]C)	109.7430	0.000	1	109.7430	0.000	1	109.8194	0.107	5	109.6554	0.973	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:2:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NS)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NS)(H)	H(C[5]C[5]N[5]C)	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	109.6554	0.973	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:2:1:	4:	N[5,6,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H)	C(C[5]N[5,6,6]C[5]H)(CCH)(OC)(H)	H(C[5]N[5,6,6]C[5]C)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>}	C(C[5]N[5,6,6]C[5]H)(CCH)(OC)(H)	H(C[5]N[5,6,6]C[5]C)	111.4760	0.000	1	111.4760	0.000	1	111.4760	0.000	1	109.6554	0.973	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:2:1:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	H(C[5]N[5,6]C[5]C)	110.5805	0.288	2	109.2770	1.731	6	109.2770	1.731	6	109.6554	0.973	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:2:1:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	H(C[5]N[5,6]C[5]C)	109.5540	0.069	2	109.2770	1.731	6	109.2770	1.731	6	109.6554	0.973	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:2:1:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	H(C[5]N[5,6]C[5]C)	107.6965	0.141	2	109.2770	1.731	6	109.2770	1.731	6	109.6554	0.973	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:2:1:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HO)(H)	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HO)(H){2|C<3>,2|H<1>}	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]N[5,6]C[5]C)	110.5730	0.000	1	110.5730	0.000	1	110.5730	0.000	1	109.6554	0.973	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:2:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	110.0380	0.000	1	110.0380	0.000	1	110.0380	0.000	1	109.6554	0.973	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H)	C(C[5]C[5,6a]2H)(COO)2(H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(COO)2(H)	H(C[5]C[5,6a]2C)	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	109.5351	1.274	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H)	C(C[5]C[5,6a]C[5]H)(CCC)(COO)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CCC)(COO)(H)	H(C[5]C[5,6a]C[5]C)	108.0070	0.000	1	108.0070	0.000	1	108.0070	0.000	1	109.5351	1.274	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]C)	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	109.5351	1.274	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:3:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCCH)(H)	C(C[5]C[5,6a]N[5]H)(COO)2(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5]H)(COO)2(H)	H(C[5]C[5,6a]N[5]C)	110.9430	0.000	1	110.9430	0.000	1	110.9430	0.000	1	109.5351	1.274	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:3:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:N-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHN)(H)	C(C[5]C[5,6a]N[5]H)(NNiC)(COO)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHN)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(NNiC)(COO)(H)	H(C[5]C[5,6a]N[5]C)	109.4070	0.000	1	109.4070	0.000	1	109.4070	0.000	1	109.5351	1.274	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NC[6a]H)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NC[6a]H)(H)	H(C[5]C[5]N[5]C)	108.1870	0.000	1	108.1870	0.000	1	108.9755	1.243	2	109.5351	1.274	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NHS)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NHS)(H)	H(C[5]C[5]N[5]C)	109.7640	0.000	1	109.7640	0.000	1	108.9755	1.243	2	109.5351	1.274	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:3:2:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-3:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(COO)(OH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(COO)(OH)	H(C[5]C[5,6a]C[5]C)	109.4620	0.921	2	109.4620	0.848	2	109.4620	0.848	2	109.4620	0.848	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2C[5])(H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(C[5]C[5]2)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2C[5])(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(C[5]C[5]2)	H(C[5]C[5,6a]2C)	109.8720	0.000	1	109.8720	0.000	1	109.8720	0.000	1	109.8720	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:4:1:	4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH)(H)	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	H(C[5]C[5,6]N[5]C)	92.7579	0.000	1	92.7579	0.000	1	92.7579	0.000	1	107.4331	20.740	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(CCHH)(H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(CCHH)(H)	H(C[5]C[5,6a]2C)	107.9625	0.291	2	107.9625	0.084	2	107.9625	0.084	2	107.4331	20.740	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[5]C[5,6a]C[5]C)	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	107.4331	20.740	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:4:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:N-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HN)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(NH3)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HN)(H){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(NH3)(H)	H(C[5]C[5,6a]N[5]C)	106.6520	0.337	2	106.6520	0.113	2	106.6520	0.113	2	107.4331	20.740	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CC[6a]O)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CC[6a]O)(CCHH)(H)	H(C[5]C[5]N[5]C)	109.5225	0.228	2	109.5225	0.052	2	109.5225	0.052	2	107.4331	20.740	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]CH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]CH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[5]C[5]N[5]C)	110.6240	0.000	1	110.6240	0.000	1	109.3216	0.624	5	107.4331	20.740	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[5]C[5]N[5]C)	109.2745	0.169	2	109.2745	0.029	2	109.3216	0.624	5	107.4331	20.740	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[5a]HH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[5a]HH)(H)	H(C[5]C[5]N[5]C)	108.8560	0.000	1	108.8560	0.000	1	109.3216	0.624	5	107.4331	20.740	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:3:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[5]C[5]N[5]C)	108.5790	0.000	1	108.5790	0.000	1	109.3216	0.624	5	107.4331	20.740	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,5a]C[5]H)(CH3)(H)2	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H){1|S<4>,5|C<3>}	C(C[5]C[5,5a]C[5]H)(CH3)(H)2	H(C[5]C[5,5a]C[5]C)	110.2400	0.000	1	110.2400	0.000	1	110.2400	0.000	1	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5,6]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])2(CCHH)(H)	C(C[5]C[5,6]2H)(CHHP)(H)2	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6]C[6])2(CCHH)(H){2|C<3>,2|H<1>,2|N<3>}	C(C[5]C[5,6]2H)(CHHP)(H)2	H(C[5]C[5,6]2C)	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CCHH)(H)	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CCHH)(H){1|O<1>,4|C<3>}	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	H(C[5]C[5,6]N[5]C)	109.0450	0.000	1	109.0450	0.000	1	109.0450	0.000	1	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	C(C[5]C[5,6a]2H)(CC[6a]HH)(H)2	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(CC[6a]HH)(H)2	H(C[5]C[5,6a]2C)	110.0320	0.000	1	110.0320	0.000	1	109.2949	0.500	8	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	C(C[5]C[5,6a]2H)(CHHN)(H)2	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(CHHN)(H)2	H(C[5]C[5,6a]2C)	109.3578	0.717	5	109.3578	0.515	5	109.2949	0.500	8	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	C(C[5]C[5,6a]2H)(CHHO)(H)2	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(CHHO)(H)2	H(C[5]C[5,6a]2C)	109.1730	0.000	1	109.1730	0.000	1	109.2949	0.500	8	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	C(C[5]C[5,6a]2H)(CHHP)(H)2	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|C<3>,2|H<1>,2|N<2>}	C(C[5]C[5,6a]2H)(CHHP)(H)2	H(C[5]C[5,6a]2C)	108.3650	0.000	1	108.3650	0.000	1	109.2949	0.500	8	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H)	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	H(C[5]C[5,6a]2C)	107.8110	1.947	2	107.8110	3.792	2	107.5162	1.413	4	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H)	C(C[5]C[5,6a]2H)2(H)2	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)2(H)2	H(C[5]C[5,6a]2C)	107.2215	0.315	2	107.2215	0.099	2	107.5162	1.413	4	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(C[5]C[5,6a]C[5]C)	108.0420	0.000	1	108.0420	0.000	1	108.4310	0.303	2	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	H(C[5]C[5,6a]C[5]C)	108.8200	0.000	1	108.8200	0.000	1	108.4310	0.303	2	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(H)2	H(C[5]C[5,6a]C[5]C)	108.1840	0.000	2	108.1840	0.000	2	108.1840	0.000	2	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H)	C(C[5]C[5,6a]N[5,5]H)(SC[6a]OO)(H)2	H(C[5]C[5,6a]N[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5,5]H)(SC[6a]OO)(H)2	H(C[5]C[5,6a]N[5,5]C)	109.3910	0.477	2	109.3910	0.227	2	109.3910	0.227	2	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	H(C[5]C[5,6a]N[5,5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	H(C[5]C[5,6a]N[5,5a]C)	110.6620	0.240	2	110.6620	0.058	2	110.6620	0.058	2	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:F-1:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCFF)(H)	C(C[5]C[5,6a]N[5]H)(CF3)(F)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCFF)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5]H)(CF3)(F)2	H(C[5]C[5,6a]N[5]C)	106.0570	0.000	1	106.0570	0.000	1	106.0570	0.000	1	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CCCH)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(CCCH)(H)2	H(C[5]C[5,6a]N[5]C)	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHS)(H)	C(C[5]C[5,6a]N[5]H)(SC[6a]OO)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(SC[6a]OO)(H)2	H(C[5]C[5,6a]N[5]C)	108.2580	0.000	1	108.2580	0.000	1	108.5723	0.160	3	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H)	C(C[5]C[5,6a]N[5]H)(SC[6a]OO)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(SC[6a]OO)(H)2	H(C[5]C[5,6a]N[5]C)	108.4360	0.000	1	108.4360	0.000	1	108.5723	0.160	3	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H)	C(C[5]C[5,6a]N[5]H)(SFOO)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(SFOO)(H)2	H(C[5]C[5,6a]N[5]C)	109.0230	0.000	1	109.0230	0.000	1	108.5723	0.160	3	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H){1|C<3>,2|C<4>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	112.7190	0.000	1	112.7190	0.000	1	110.8340	7.106	2	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	108.9490	0.000	1	108.9490	0.000	1	110.8340	7.106	2	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	109.6270	0.000	1	109.6270	0.000	1	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	110.8027	0.344	3	110.8027	0.118	3	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	110.3020	0.000	1	110.3020	0.000	1	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	110.2980	0.000	1	110.2980	0.000	1	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	109.4087	0.247	4	109.4087	0.061	4	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	109.2280	0.000	1	109.2280	0.000	1	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(CCCO)(H)2	H(C[5]C[5]N[5]C)	109.8640	0.000	1	109.8640	0.000	1	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	109.9040	0.570	2	109.9040	0.325	2	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	109.9890	0.000	1	109.9890	0.000	1	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H){1|H<1>,1|S<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	109.9790	0.171	2	109.9790	0.029	2	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	109.2290	0.000	1	109.7200	0.482	2	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|C<4>,1|N<2>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	110.2110	0.000	1	109.7200	0.482	2	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	109.8000	0.666	2	109.8000	0.444	2	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CHHS)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CHHS)(H)2	H(C[5]C[5]N[5]C)	107.7270	0.000	1	108.9996	0.873	9	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CHHS)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H){2|C<4>}	C(C[5]C[5]N[5]H)(CHHS)(H)2	H(C[5]C[5]N[5]C)	109.1586	0.859	8	108.9996	0.873	9	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	110.2390	0.000	1	110.2390	0.000	1	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	109.6760	0.000	1	109.6760	0.000	1	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]O)(N[5]C[5]H)(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	108.8675	0.537	2	108.8675	0.288	2	109.6119	0.609	34	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]N[5]O)(CCHH)(H)	C(C[5]N[5,5,6]C[5]H)(CCCH)(H)2	H(C[5]N[5,5,6]C[5]C)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]N[5]O)(CCHH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	C(C[5]N[5,5,6]C[5]H)(CCCH)(H)2	H(C[5]N[5,5,6]C[5]C)	109.2540	0.000	1	109.2540	0.000	1	109.2540	0.000	1	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H)	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	H(C[5]N[5,5]C[5]C)	108.9870	0.000	1	108.7250	0.137	2	108.7250	0.137	2	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H)	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	H(C[5]N[5,5]C[5]C)	108.4630	0.000	1	108.7250	0.137	2	108.7250	0.137	2	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(N[5]N[5]C)(CCHH)(H)	C(C[5]N[5,6]N[5]H)(CCHH)(H)2	H(C[5]N[5,6]N[5]C)	C[5](N[5,6]C[5,6]C[6])(N[5]N[5]C)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]N[5,6]N[5]H)(CCHH)(H)2	H(C[5]N[5,6]N[5]C)	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]Br)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]Br)(C[5]N[5]O)(CCHH)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CCHH)(H)	C(C[5]N[5]2H)(CCHH)(H)2	H(C[5]N[5]2C)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CCHH)(H){4|C<3>}	C(C[5]N[5]2H)(CCHH)(H)2	H(C[5]N[5]2C)	109.5580	0.000	1	109.5580	0.000	1	109.5580	0.000	1	109.2819	1.212	70	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:2:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HO)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	110.9210	0.000	1	110.9210	0.000	1	110.9210	0.000	1	110.0817	0.245	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:2:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	H(C[5]C[5]N[5]C)	109.7760	0.000	1	109.7760	0.000	1	109.8435	0.093	4	110.0817	0.245	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:2:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	H(C[5]C[5]N[5]C)	109.7580	0.000	1	109.7580	0.000	1	109.8435	0.093	4	110.0817	0.245	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:2:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	H(C[5]C[5]N[5]C)	109.5630	0.000	1	109.5630	0.000	1	109.8435	0.093	4	110.0817	0.245	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:2:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	H(C[5]C[5]N[5]C)	110.2770	0.000	1	110.2770	0.000	1	109.8435	0.093	4	110.0817	0.245	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:2:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHO)(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHO)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	H(C[5]C[5]N[5]C)	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	110.0817	0.245	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H)	C(C[5]C[5,6a]2H)(CCHH)(COO)(H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(CCHH)(COO)(H)	H(C[5]C[5,6a]2C)	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	108.9318	1.477	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6,6a]2H)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H){1|Cl<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6,6a]2H)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]C)	107.5730	0.000	1	107.5730	0.000	1	107.3830	0.072	2	108.9318	1.477	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(COO)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(COO)(H)	H(C[5]C[5,6a]C[5]C)	107.1930	0.000	1	107.1930	0.000	1	107.3830	0.072	2	108.9318	1.477	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	H(C[5]C[5]N[5]C)	109.5365	0.035	2	109.5365	0.001	2	109.6587	0.045	3	108.9318	1.477	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CF3)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(CF3)(COO)(H)	H(C[5]C[5]N[5]C)	109.9030	0.000	1	109.9030	0.000	1	109.6587	0.045	3	108.9318	1.477	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:3:2:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCO)(H)	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCO)(H){1|C<4>}	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	H(C[5]C[5]2C)	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	H(C[5]C[5,5a]N[5]C)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	H(C[5]C[5,5a]N[5]C)	110.4330	0.000	1	110.4330	0.000	1	109.9385	0.489	2	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H)	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	H(C[5]C[5,5a]N[5]C)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	H(C[5]C[5,5a]N[5]C)	109.4440	0.000	1	109.4440	0.000	1	109.9385	0.489	2	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)(H)	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)(H){1|B<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	H(C[5]C[5,6a]C[5]C)	109.3885	0.655	2	109.3885	0.430	2	109.1643	0.366	3	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H)	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	H(C[5]C[5,6a]C[5]C)	108.7160	0.000	1	108.7160	0.000	1	109.1643	0.366	3	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(CCCH)(H)	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	H(C[5]C[5,6a]N[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(CCCH)(H){1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	H(C[5]C[5,6a]N[5,5]C)	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	H(C[5]C[5,6a]N[5,5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H){1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	H(C[5]C[5,6a]N[5,5a]C)	109.8410	0.000	1	109.8410	0.000	1	109.8410	0.000	1	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(H)	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	H(C[5]C[5,6a]N[5]C)	107.9550	0.000	1	107.9550	0.000	1	106.7180	3.060	2	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(CCCH)(H)	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(CCCH)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	H(C[5]C[5,6a]N[5]C)	105.4810	0.000	1	105.4810	0.000	1	106.7180	3.060	2	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]N)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]N)(N[5]C[5]H)(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(C[5]C[5]N[5]C)	108.9710	0.000	1	108.9710	0.000	1	109.0903	0.421	18	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.5320	0.000	1	108.5320	0.000	1	109.0903	0.421	18	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(C[5]C[5]N[5]C)	109.1450	0.819	2	109.1063	0.340	3	109.0903	0.421	18	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(C[5]C[5]N[5]C)	109.0290	0.000	1	109.1063	0.340	3	109.0903	0.421	18	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.1740	0.000	1	108.1740	0.000	1	109.0903	0.421	18	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CF3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(CF3)2(H)	H(C[5]C[5]N[5]C)	108.8400	0.000	1	108.8400	0.000	1	109.0903	0.421	18	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.8505	0.165	2	109.8505	0.027	2	109.0903	0.421	18	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.2970	0.966	2	108.7112	0.437	5	109.0903	0.421	18	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|C<4>,1|S<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.5940	0.000	1	108.7112	0.437	5	109.0903	0.421	18	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.1100	0.000	1	108.7112	0.437	5	109.0903	0.421	18	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|H<1>,1|S<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.2580	0.000	1	108.7112	0.437	5	109.0903	0.421	18	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H){2|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.3300	0.000	1	109.4523	0.015	3	109.0903	0.421	18	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H){2|H<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.5135	0.084	2	109.4523	0.015	3	109.0903	0.421	18	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]H)(CCCH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(C[5]C[5]N[5]C)	110.1750	0.000	1	110.1750	0.000	1	109.0903	0.421	18	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CCCH)(H)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CCCH)(H){1|O<1>,3|C<3>}	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CCCH)(H)	C(C[5]N[5,6]C[5]H)(CH3)2(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5]N[5,6]C[5]H)(CH3)2(H)	H(C[5]N[5,6]C[5]C)	110.8170	0.000	1	110.8170	0.000	1	109.9815	1.093	4	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]Si[5,6]C[6])(C[5]O[5]O)(CCCH)(H)	C(C[5]N[5,6]C[5]H)(CH3)2(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]Si[5,6]C[6])(C[5]O[5]O)(CCCH)(H){1|C<3>,1|O<2>,3|C<4>}	C(C[5]N[5,6]C[5]H)(CH3)2(H)	H(C[5]N[5,6]C[5]C)	109.7030	1.083	3	109.7030	1.174	3	109.9815	1.093	4	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	N[5]-3:B[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(B[5]O[5]C)(CCCH)(H)	C(C[5]B[5]N[5]H)(CCHH)2(H)	H(C[5]B[5]N[5]C)	C[5](N[5]C[6a]C[5])(B[5]O[5]C)(CCCH)(H){1|O<1>,2|C<3>}	C(C[5]B[5]N[5]H)(CCHH)2(H)	H(C[5]B[5]N[5]C)	110.7310	0.000	1	110.7310	0.000	1	110.7310	0.000	1	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.9260	0.016	2	108.9503	0.336	4	108.9503	0.336	4	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H){1|N<3>,2|O<2>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.9745	1.002	2	108.9503	0.336	4	108.9503	0.336	4	109.1835	0.979	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:2:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCCO)(H)	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCCO)(H){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5,6a]N[5]C)	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	108.3390	1.486	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:2:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:S-2:	C[5]-4:	C[5](N[5]C[5]C)2(CCCS)(H)	C(C[5]N[5]2H)(CH3)2(SS)	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CCCS)(H){4|H<1>}	C(C[5]N[5]2H)(CH3)2(SS)	H(C[5]N[5]2C)	107.4770	0.000	1	107.4770	0.000	1	107.4770	0.000	1	108.3390	1.486	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	C[5,5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]N[5])(N[5]C[5,5]C)(CC3)(H)	C(C[5]C[5,5]N[5]H)(CH3)3	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[3x5]N[5])(N[5]C[5,5]C)(CC3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5,5]N[5]H)(CH3)3	H(C[5]C[5,5]N[5]C)	108.0850	0.000	1	108.0850	0.000	1	108.0850	0.000	1	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H)	C(C[5]C[5,5a]N[5]H)(CH3)3	H(C[5]C[5,5a]N[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,5a]N[5]H)(CH3)3	H(C[5]C[5,5a]N[5]C)	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC3)(H)	C(C[5]C[5,6]N[5]H)(CH3)3	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC3)(H){1|C<4>,1|O<1>,3|C<3>}	C(C[5]C[5,6]N[5]H)(CH3)3	H(C[5]C[5,6]N[5]C)	105.9280	0.000	1	105.9280	0.000	1	105.9280	0.000	1	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]CC)(H)	C(C[5]C[5,6a]2H)(C[5]C[5]2Y)(CH3)2	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]CC)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(C[5]C[5]2Y)(CH3)2	H(C[5]C[5,6a]2C)	108.8725	0.032	2	108.8725	0.001	2	108.8725	0.001	2	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	H(C[5]C[5,6a]C[5]C)	108.3900	0.000	1	108.3900	0.000	1	108.9493	0.241	3	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H)	C(C[5]C[5,6a]C[5]H)(CCHH)(CH3)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H){1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(CCHH)(CH3)2	H(C[5]C[5,6a]C[5]C)	109.2290	0.116	2	109.2290	0.013	2	108.9493	0.241	3	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(CCHH)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]CC)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(CCHH)2	H(C[5]C[5,6a]C[5]C)	107.9590	0.000	1	107.9590	0.000	1	107.9590	0.000	1	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[5,6]C[6]H)(CH3)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]H)(C[6]C[5,6]C[6]H)(CH3)2	H(C[5]C[5,6a]C[5]C)	108.6160	0.000	1	108.6160	0.000	1	108.1755	1.097	4	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	H(C[5]C[5,6a]C[5]C)	108.0287	1.231	3	108.0287	1.516	3	108.1755	1.097	4	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC3)(H)	C(C[5]C[5,6a]N[5]H)(CH3)3	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5]H)(CH3)3	H(C[5]C[5,6a]N[5]C)	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC3)(H)	C(C[5]C[5]2H)(CCCH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC3)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(CCCH)(CH3)2	H(C[5]C[5]2C)	109.2175	0.015	2	109.2175	0.000	2	109.2175	0.000	2	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]S)(CC3)(H){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	108.7990	0.000	1	108.7990	0.000	1	108.7843	0.002	3	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	108.7770	0.065	2	108.7770	0.004	2	108.7843	0.002	3	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	N[5,5]-3:S[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]O)(CC3)(H)	C(C[5]N[5,5]S[5]H)(CH3)3	H(C[5]N[5,5]S[5]C)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]O)(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	C(C[5]N[5,5]S[5]H)(CH3)3	H(C[5]N[5,5]S[5]C)	107.6585	2.650	2	107.6585	7.020	2	107.6585	7.020	2	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(CC3)(H)	C(C[5]N[5]2H)(CH3)3	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CC3)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]N[5]2H)(CH3)3	H(C[5]N[5]2C)	110.0740	0.000	1	109.9041	0.105	9	109.9041	0.105	9	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(CC3)(H)	C(C[5]N[5]2H)(CH3)3	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]N[5]2H)(CH3)3	H(C[5]N[5]2C)	109.9579	0.286	7	109.9041	0.105	9	109.9041	0.105	9	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(CC3)(H)	C(C[5]N[5]2H)(CH3)3	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CC3)(H){1|O<1>,2|C<3>}	C(C[5]N[5]2H)(CH3)3	H(C[5]N[5]2C)	109.3580	0.000	1	109.9041	0.105	9	109.9041	0.105	9	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:3:4:1:	4:4:4:4:	4:	P[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(CC3)(H)	C(C[5]P[5,5]C[5]H)(CH3)3	H(C[5]P[5,5]C[5]C)	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(CC3)(H){1|C<3>,1|C<4>,2|O<2>}	C(C[5]P[5,5]C[5]H)(CH3)3	H(C[5]P[5,5]C[5]C)	107.0610	0.000	2	107.0610	0.000	2	107.0610	0.000	2	108.8414	1.494	32	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	3:4:2:1:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]N)(CC[5a]HO)(O[5]C[5])(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]N)(CC[5a]HO)(O[5]C[5])(H){1|Cl<1>,1|O<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]O[5]C)	109.5920	0.429	2	109.5920	0.184	2	109.5920	0.184	2	109.6953	0.150	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	3:4:2:1:	4:	C[5]-3:C-4:S[5]-2:H-1:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]O)(CC[5a]HO)(S[5]C[5])(H)	C(C[5a]C[5a]S[5a])(C[5]C[5]S[5]H)(OH)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]O)(CC[5a]HO)(S[5]C[5])(H){1|C<4>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]S[5]H)(OH)(H)	H(C[5]C[5]S[5]C)	109.7985	0.474	2	109.7985	0.225	2	109.7985	0.225	2	109.6953	0.150	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	3:4:3:2:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]H)(CC[5a]CO)(O[5]C[5])(H)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(COO)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(CC[5a]CO)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(COO)(OH)	H(C[5]C[5]O[5]C)	109.8390	0.000	1	109.8390	0.000	1	109.8390	0.000	1	109.8390	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	3:4:4:1:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	H(C[5]C[5]O[5]C)	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:1:1:	4:	C[5]-3:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<3>,1|S<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.4420	0.000	1	109.2415	0.080	2	108.9163	0.357	3	108.4281	6.670	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:1:1:	4:	C[5]-3:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<4>,1|N<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.0410	0.000	1	109.2415	0.080	2	108.9163	0.357	3	108.4281	6.670	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:1:1:	4:	C[5]-3:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.2660	0.000	1	108.2660	0.000	1	108.9163	0.357	3	108.4281	6.670	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:1:1:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]Au)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]Au)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,1|O<2>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	109.2290	0.000	1	109.2290	0.000	1	109.3390	0.024	2	108.4281	6.670	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:1:1:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	109.4490	0.000	1	109.4490	0.000	1	109.3390	0.024	2	108.4281	6.670	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:1:1:	4:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O)(CC[6a]HH)(S[5]C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]O)(CC[6a]HH)(S[5]C[5])(H){1|C<3>,1|N<3>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]S[5]C)	108.0400	0.141	2	108.0400	0.020	2	106.9586	13.737	6	108.4281	6.670	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:1:1:	4:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H){1|C<4>,1|N<2>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]S[5]C)	108.8100	0.000	1	106.4180	21.718	4	106.9586	13.737	6	108.4281	6.670	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:1:1:	4:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H){1|C<4>,1|O<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]S[5]C)	109.0830	0.000	1	106.4180	21.718	4	106.9586	13.737	6	108.4281	6.670	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:1:1:	4:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]S[5]C)	103.8894	6.288	2	106.4180	21.718	4	106.9586	13.737	6	108.4281	6.670	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:1:1:	4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,3|H<1>}	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5]O[5]C)	110.2780	0.000	1	109.8817	0.459	3	109.8105	0.327	4	108.4281	6.670	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:1:1:	4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5]O[5]C)	109.6835	0.827	2	109.8817	0.459	3	109.8105	0.327	4	108.4281	6.670	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:1:1:	4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5]O[5]C)	109.5970	0.000	1	109.5970	0.000	1	109.8105	0.327	4	108.4281	6.670	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:2:1:	4:	C[5,6a]-3:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(N[5]S[5])(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(N[5]S[5])(H){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5,6a]N[5]C)	107.9710	0.000	1	107.9710	0.000	1	107.9710	0.000	1	108.9447	2.992	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:2:1:	4:	C[5,6a]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5,6a]O[5]C)	107.0695	0.571	2	107.0695	0.326	2	107.0695	0.326	2	108.9447	2.992	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:2:1:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	110.8755	1.934	2	110.8755	3.740	2	110.8813	1.870	3	108.9447	2.992	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:2:1:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]C)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]C)(CC[6a]HO)(O[5]C[5])(H){1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	110.8930	0.000	1	110.8930	0.000	1	110.8813	1.870	3	108.9447	2.992	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:2:1:	4:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]O)(CC[6a]HO)(S[5]C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]O)(CC[6a]HO)(S[5]C[5])(H){1|C<4>,1|O<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]S[5]C)	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	108.9447	2.992	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:2:1:	4:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:S-2:H-1:	C[5]-4:	C[5](C[5]N[5]O)(CC[6a]HS)(S[5]C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(SC[6a])(H)	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]O)(CC[6a]HS)(S[5]C[5])(H){1|S<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(SC[6a])(H)	H(C[5]C[5]S[5]C)	108.3680	0.000	1	108.3680	0.000	1	108.3680	0.000	1	108.9447	2.992	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:2:1:	4:	N[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](N[5]C[5]C)(CC[6a]HO)(S[5]C[5])(H)	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]N[5]S[5]C)	C[5](N[5]C[5]C)(CC[6a]HO)(S[5]C[5])(H){4|H<1>}	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]N[5]S[5]C)	108.9890	0.000	1	108.9890	0.000	1	108.9890	0.000	1	108.9447	2.992	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:3:1:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]C)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]C)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)(H)	H(C[5]C[5]O[5]C)	109.7150	0.000	1	109.7150	0.000	1	109.5540	0.052	2	109.6715	0.039	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:3:1:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCC)(H)	H(C[5]C[5]O[5]C)	109.3930	0.000	1	109.3930	0.000	1	109.5540	0.052	2	109.6715	0.039	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:3:1:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])(H){1|O<1>,3|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5]O[5]C)	109.9080	0.000	1	109.9080	0.000	1	109.9080	0.000	1	109.6715	0.039	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:3:1:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5])(CC[6a]HN)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]N)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]N[5])(CC[6a]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]N)(H)	H(C[5]C[5]O[5]C)	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	109.6715	0.039	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:3:1:	4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(COO)(H)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,3|H<1>}	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(COO)(H)	H(C[5]N[5]O[5]C)	109.6930	0.000	1	109.6930	0.000	1	109.6930	0.000	1	109.6715	0.039	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:3:1:	4:	N[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:	C[5](N[5]C[5]S)(CC[6a]CH)(S[5]C[5])(H)	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(COO)(H)	H(C[5]N[5]S[5]C)	C[5](N[5]C[5]S)(CC[6a]CH)(S[5]C[5])(H){4|H<1>}	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(COO)(H)	H(C[5]N[5]S[5]C)	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	109.6715	0.039	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:3:2:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]H)(CC[6a]CO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(COO)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(CC[6a]CO)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(COO)(OH)	H(C[5]C[5]O[5]C)	110.2515	0.423	8	110.2515	0.179	8	110.2515	0.179	8	110.2515	0.179	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:3:3:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N-3:C-3:	C[5]-4:	C[5](C[5]C[5]H)(CC[6a]CN)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(CC[6a]CN)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	H(C[5]C[5]O[5]C)	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:4:1:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[5]C[5]O[5]C)	109.6210	0.000	1	109.2667	0.455	3	109.3569	0.345	8	109.3569	0.345	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:4:1:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[5]C[5]O[5]C)	109.0895	0.849	2	109.2667	0.455	3	109.3569	0.345	8	109.3569	0.345	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:4:1:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[5]C[5]O[5]C)	110.2460	0.000	1	109.5977	0.256	4	109.3569	0.345	8	109.3569	0.345	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:4:1:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|S<2>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[5]C[5]O[5]C)	109.3817	0.322	3	109.5977	0.256	4	109.3569	0.345	8	109.3569	0.345	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:4:1:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5])(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	H(C[5]C[5]O[5]C)	108.6640	0.000	1	108.6640	0.000	1	109.3569	0.345	8	109.3569	0.345	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:4:2:	4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:P-4:O-2:	C[5]-4:	C[5](C[5]C[5]H)(CC[6a]OP)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(PO3)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]H)(CC[6a]OP)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(PO3)(OH)	H(C[5]C[5]O[5]C)	108.9290	0.000	1	108.9290	0.000	1	108.9290	0.000	1	108.9290	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:2:1:	4:3:4:3:	4:	C[5,6a]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CC)(O[5]N[5])(H)	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(CCHH)(COO)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CC)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(CCHH)(COO)	H(C[5]C[5,6a]O[5]C)	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:3:1:	3:4:4:1:	4:	C[5]-3:C-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(CC[6a]C[6]H)(C[5]O[5]O)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5])(CC[6a]C[6]H)(C[5]O[5]O)(H){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	H(C[5]C[5]2C)	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:3:1:	3:4:4:4:	4:	C[5,6a]-3:C-4:C[5]-3:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H){2|C<3>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	H(C[5]C[5,6a]C[5]C)	108.8840	0.000	1	108.8840	0.000	1	108.8840	0.000	1	108.8840	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:3:1:	4:3:3:1:	4:	C[5,6a]-3:C-4:N[5]-3:H-1:	C[5]-4:C[5a]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]H)(N[5]C[5]H)(H)	C(C[5]C[5,6a]N[5]H)(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]H)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]N[5]C)	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:3:1:	4:4:4:4:	4:	C[5,6a]-3:C-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6a]C[5]H)(CH3)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H){2|C<3>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6a]C[5]H)(CH3)2	H(C[5]C[5,6a]C[5]C)	109.2670	0.042	2	109.2670	0.002	2	109.2670	0.002	2	109.2670	0.002	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]O)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[4,5]O)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	107.8840	0.000	1	107.8840	0.000	1	107.8840	0.000	1	107.9150	0.002	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]H)(C[5]C[5]HN)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]H)(C[5]C[5]HN)(CC[5a]HH)(H){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	107.9460	0.000	1	107.9460	0.000	1	107.9460	0.000	1	107.9150	0.002	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	3:4:3:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5a]HN)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(NC[6a]H)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5a]HN)(H){1|C<3>,1|N<2>,4|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(NC[6a]H)(H)	H(C[5]C[5]N[5]C)	107.7100	0.000	1	107.7100	0.000	1	107.7100	0.000	1	107.7100	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.9050	0.600	2	108.9050	0.360	2	109.8253	2.721	3	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	111.6660	0.000	1	111.6660	0.000	1	109.8253	2.721	3	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]CH)(CF3)(H)	C(C[5]C[5,5a]C[5]H)(F)3	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]CH)(CF3)(H){1|N<3>,2|C<3>,2|S<2>}	C(C[5]C[5,5a]C[5]H)(F)3	H(C[5]C[5,5a]C[5]C)	109.2080	0.000	2	109.2080	0.000	2	109.2080	0.000	2	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5,5a]C[5]H)(H)3	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5]H)(H)3	H(C[5]C[5,5a]C[5]C)	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2H)(CH3)(H)	C(C[5]C[5,6]2H)(H)3	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2H)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	C(C[5]C[5,6]2H)(H)3	H(C[5]C[5,6]2C)	108.0300	0.000	1	108.0300	0.000	1	108.0300	0.000	1	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	110.4990	0.000	1	109.6490	1.726	3	109.2209	1.040	9	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	110.3120	0.000	1	109.6490	1.726	3	109.2209	1.040	9	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){2|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.1360	0.000	1	109.6490	1.726	3	109.2209	1.040	9	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.2180	0.000	1	108.2180	0.000	1	109.2209	1.040	9	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.4620	0.000	1	109.5245	0.237	4	109.2209	1.040	9	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.8700	0.000	1	109.5245	0.237	4	109.2209	1.040	9	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|O<1>,2|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.8830	0.143	2	109.5245	0.237	4	109.2209	1.040	9	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.7250	0.000	1	107.7250	0.000	1	109.2209	1.040	9	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)(H)	C(C[5]C[5,6a]C[5,5]H)(H)3	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6a]C[5,5]H)(H)3	H(C[5]C[5,6a]C[5,5]C)	108.4960	0.000	2	108.4960	0.000	2	108.2227	0.224	3	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(CH3)(H)	C(C[5]C[5,6a]C[5,5]H)(H)3	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,5]H)(H)3	H(C[5]C[5,6a]C[5,5]C)	107.6760	0.000	1	107.6760	0.000	1	108.2227	0.224	3	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H)	C(C[5]C[5,6a]C[5,6]H)(H)3	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,6]H)(H)3	H(C[5]C[5,6a]C[5,6]C)	107.5910	0.081	2	107.5910	0.006	2	108.1550	0.426	4	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(H)	C(C[5]C[5,6a]C[5,6]H)(H)3	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]H)(H)3	H(C[5]C[5,6a]C[5,6]C)	108.7190	0.000	2	108.7190	0.000	2	108.1550	0.426	4	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(CF3)(H)	C(C[5]C[5,6a]C[5]H)(F)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(CF3)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(F)3	H(C[5]C[5,6a]C[5]C)	108.6440	0.820	2	108.6440	0.673	2	108.4920	2.513	6	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CF3)(H)	C(C[5]C[5,6a]C[5]H)(F)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CF3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(F)3	H(C[5]C[5,6a]C[5]C)	109.1370	0.000	1	109.1370	0.000	1	108.4920	2.513	6	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CF3)(H)	C(C[5]C[5,6a]C[5]H)(F)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CF3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(F)3	H(C[5]C[5,6a]C[5]C)	109.3090	0.000	1	109.3090	0.000	1	108.4920	2.513	6	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CF3)(H)	C(C[5]C[5,6a]C[5]H)(F)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CF3)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(F)3	H(C[5]C[5,6a]C[5]C)	109.7540	0.000	1	109.7540	0.000	1	108.4920	2.513	6	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H)	C(C[5]C[5,6a]C[5]H)(F)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(F)3	H(C[5]C[5,6a]C[5]C)	105.4640	0.000	1	105.4640	0.000	1	108.4920	2.513	6	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	109.7810	0.000	1	109.7810	0.000	1	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(CH3)(H){3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	109.8400	0.000	1	109.8400	0.000	1	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(CH3)(H){3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	110.5325	0.769	2	110.5325	0.591	2	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(CH3)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	109.2210	0.000	1	109.2210	0.000	1	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	108.3120	0.000	1	105.2618	54.371	3	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	96.8524	0.000	1	105.2618	54.371	3	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	110.6210	0.000	1	105.2618	54.371	3	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	109.7240	0.000	1	109.8707	0.941	12	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	109.7850	0.981	8	109.8707	0.941	12	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|Cl<1>,1|N<3>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	110.4610	0.000	1	109.8707	0.941	12	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	108.7340	0.000	1	109.8707	0.941	12	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	111.2490	0.000	1	109.8707	0.941	12	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	107.7095	0.039	2	107.7095	0.002	2	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(CH3)(H){1|H<1>,1|P<5>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	110.1490	0.000	1	110.1490	0.000	1	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)(H){1|N<2>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	110.6220	0.000	1	110.6220	0.000	1	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	108.7720	0.000	1	108.7720	0.000	1	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CH3)(H){3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	110.5685	0.062	2	110.5685	0.004	2	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	109.8597	0.501	3	110.0553	0.320	4	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H){3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	110.6420	0.000	1	110.0553	0.320	4	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)(H){1|Rh<3>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	107.3960	0.000	1	107.3960	0.000	1	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(H)3	H(C[5]C[5,6a]C[5]C)	110.5200	0.000	1	110.5200	0.000	1	109.3447	6.106	33	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	106.7360	0.000	1	107.0524	0.112	7	107.1185	0.131	8	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){1|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	106.8145	0.220	2	107.0524	0.112	7	107.1185	0.131	8	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){2|Cl<1>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	107.2610	0.356	3	107.0524	0.112	7	107.1185	0.131	8	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	107.2190	0.000	1	107.0524	0.112	7	107.1185	0.131	8	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]N[5]H)(H)3	H(C[5]C[5,6a]N[5]C)	107.5810	0.000	1	107.5810	0.000	1	107.1185	0.131	8	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C[5,5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	106.5740	0.000	1	106.6605	0.015	2	106.6605	0.015	2	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C[5,5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	106.7470	0.000	1	106.6605	0.015	2	106.6605	0.015	2	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.2170	0.000	1	108.2170	0.000	1	109.6201	1.435	25	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.2220	0.000	1	109.2220	0.000	1	109.6201	1.435	25	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.4215	0.822	2	107.4215	0.676	2	109.6201	1.435	25	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C)(C[5]N[5]HH)(CH3)(H){1|S<4>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.5410	0.000	1	108.5410	0.000	1	109.6201	1.435	25	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H){4|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.9770	0.000	1	110.9770	0.000	1	109.6201	1.435	25	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,3|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.0351	0.925	14	110.0823	0.828	15	109.6201	1.435	25	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.7430	0.000	1	110.0823	0.828	15	109.6201	1.435	25	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.5090	0.962	2	108.5090	0.925	2	109.6201	1.435	25	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.2255	0.173	2	110.2255	0.030	2	109.6201	1.435	25	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H)	C(C[5]C[5]2H)(H)2(I)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H){1|I<1>,4|C<3>}	C(C[5]C[5]2H)(H)2(I)	H(C[5]C[5]2C)	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	108.9820	0.000	1	108.9820	0.000	1	109.1064	0.685	7	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H)	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H){2|H<1>,2|S<2>,3|C<4>}	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	108.5225	0.337	2	108.5225	0.114	2	109.1064	0.685	7	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<2>,4|H<1>}	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	110.0730	0.000	1	110.0730	0.000	1	109.1064	0.685	7	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H)	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	107.9760	0.000	1	107.9760	0.000	1	109.1064	0.685	7	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(CH3)(H)	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(CH3)(H){1|O<1>,4|C<3>}	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	109.7160	0.000	1	109.7160	0.000	1	109.1064	0.685	7	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]O[5]HH)(CH3)(H)	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]S[5])(C[5]O[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<1>}	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	109.9530	0.000	1	109.9530	0.000	1	109.1064	0.685	7	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	C(C[5]N[5,5a]C[5]H)(H)3	H(C[5]N[5,5a]C[5]C)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C(C[5]N[5,5a]C[5]H)(H)3	H(C[5]N[5,5a]C[5]C)	109.1400	0.000	1	109.4205	0.157	2	109.4205	0.157	2	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	C(C[5]N[5,5a]C[5]H)(H)3	H(C[5]N[5,5a]C[5]C)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|O<2>,3|C<3>}	C(C[5]N[5,5a]C[5]H)(H)3	H(C[5]N[5,5a]C[5]C)	109.7010	0.000	1	109.4205	0.157	2	109.4205	0.157	2	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CBrHH)(H)	C(C[5]N[5,6]C[5]H)(Br)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CBrHH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[5]N[5,6]C[5]H)(Br)(H)2	H(C[5]N[5,6]C[5]C)	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]HH)(CH3)(H)	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]HH)(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	108.6450	0.000	1	108.6450	0.000	1	109.9980	3.277	4	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]HH)(CH3)(H)	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]HH)(CH3)(H){2|C<3>,2|O<1>,3|H<1>}	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	108.9780	0.000	1	108.9780	0.000	1	109.9980	3.277	4	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)(H)	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	109.7450	0.000	1	109.7450	0.000	1	109.9980	3.277	4	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	112.6240	0.000	1	112.6240	0.000	1	109.9980	3.277	4	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	C(C[5]N[5,6]C[5]H)(H)2(I)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]N[5,6]C[5]H)(H)2(I)	H(C[5]N[5,6]C[5]C)	110.9270	0.000	1	110.5635	0.264	2	110.5635	0.264	2	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	C(C[5]N[5,6]C[5]H)(H)2(I)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[5]N[5,6]C[5]H)(H)2(I)	H(C[5]N[5,6]C[5]C)	110.2000	0.000	1	110.5635	0.264	2	110.5635	0.264	2	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:O-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H)	C(C[5]N[5,6]C[5]H)(H)2(O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[5]N[5,6]C[5]H)(H)2(O)	H(C[5]N[5,6]C[5]C)	109.7987	0.487	4	109.7987	0.238	4	109.7987	0.238	4	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]N[5,6a]C[5]H)(H)3	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C(C[5]N[5,6a]C[5]H)(H)3	H(C[5]N[5,6a]C[5]C)	110.4990	0.000	1	110.4990	0.000	1	109.6780	1.348	2	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H)	C(C[5]N[5,6a]C[5]H)(H)3	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H){1|N<2>,1|O<1>,3|C<3>}	C(C[5]N[5,6a]C[5]H)(H)3	H(C[5]N[5,6a]C[5]C)	108.8570	0.000	1	108.8570	0.000	1	109.6780	1.348	2	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:Br-1:F-1:F-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CBrFF)(H)	C(C[5]C[5]N[5]H)(Br)(F)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CBrFF)(H){2|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(Br)(F)2	H(C[5]C[5]N[5]C)	109.8970	0.000	1	109.8970	0.000	1	109.8970	0.000	1	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HP)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HP)(CF3)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	110.2050	0.000	1	110.2050	0.000	1	109.6732	0.120	6	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(CF3)(H){2|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.3640	0.000	2	109.3640	0.000	2	109.6732	0.120	6	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H){1|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.7020	0.250	3	109.7020	0.063	3	109.6732	0.120	6	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(CH3)(H){4|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.5500	0.000	1	109.5500	0.000	1	109.3150	0.342	34	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.1780	0.000	1	109.1780	0.000	1	109.3150	0.342	34	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){1|N<2>,3|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.7580	0.041	2	109.7605	0.001	4	109.3150	0.342	34	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){2|C<3>,2|N<2>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.7630	0.008	2	109.7605	0.001	4	109.3150	0.342	34	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.2945	0.660	11	109.2945	0.435	11	109.3150	0.342	34	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.1017	0.437	8	109.1017	0.191	8	109.3150	0.342	34	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H){1|Ru<6>,3|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.7065	1.418	2	109.0407	1.340	3	109.3150	0.342	34	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H){3|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.7090	0.000	1	109.0407	1.340	3	109.3150	0.342	34	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CH3)(H){1|O<1>,3|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.8003	0.253	3	109.8003	0.064	3	109.3150	0.342	34	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CH3)(H){3|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.6870	0.000	1	109.6870	0.000	1	109.3150	0.342	34	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]Si[3,3,5]C)(C[5]N[5]CH)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]Si[3,3,5]C)(C[5]N[5]CH)(CH3)(H){1|Si<5>,1|C<4>,2|O<2>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.8390	0.134	2	108.8390	0.018	2	109.3150	0.342	34	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	P[5,6]-3:Ge[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5,6]C[5,6]P[5,6])(Ge[5]P[5,6]CC)(CH3)(H)	C(C[5]P[5,6]Ge[5]H)(H)3	H(C[5]P[5,6]Ge[5]C)	C[5](P[5,6]C[5,6]P[5,6])(Ge[5]P[5,6]CC)(CH3)(H){1|Ge<4>,1|P<3>,2|C<3>}	C(C[5]P[5,6]Ge[5]H)(H)3	H(C[5]P[5,6]Ge[5]C)	106.1800	0.000	1	106.1800	0.000	1	106.1800	0.000	1	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	P[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.6250	2.332	2	107.6250	5.438	2	108.1374	2.091	8	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:1:1:1:	4:	P[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	108.3082	1.304	6	108.3082	1.699	6	108.1374	2.091	8	109.1091	2.364	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(CHHO)(H){2|C<4>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	110.7590	0.000	1	110.7590	0.000	1	110.7590	0.000	1	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[4,5]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(CHHO)(H)	C(C[5]N[4,5]C[5]H)(OH)(H)2	H(C[5]N[4,5]C[5]C)	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(CHHO)(H){1|C<4>,1|H<1>,3|O<1>}	C(C[5]N[4,5]C[5]H)(OH)(H)2	H(C[5]N[4,5]C[5]C)	108.4410	0.000	1	108.4410	0.000	1	108.4410	0.000	1	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(CHHO)(H)	C(C[5]N[5,5]C[5]H)(OH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(CHHO)(H){1|H<1>,1|O<1>,4|C<4>}	C(C[5]N[5,5]C[5]H)(OH)(H)2	H(C[5]N[5,5]C[5]C)	109.6550	0.000	1	109.6550	0.000	1	108.5518	1.343	12	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	C(C[5]N[5,5]C[5]H)(OC)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]N[5,5]C[5]H)(OC)(H)2	H(C[5]N[5,5]C[5]C)	108.9580	0.000	1	108.6930	0.122	5	108.5518	1.343	12	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	C(C[5]N[5,5]C[5]H)(OC)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]N[5,5]C[5]H)(OC)(H)2	H(C[5]N[5,5]C[5]C)	108.6268	0.366	4	108.6930	0.122	5	108.5518	1.343	12	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	C(C[5]N[5,5]C[5]H)(OH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]N[5,5]C[5]H)(OH)(H)2	H(C[5]N[5,5]C[5]C)	107.3083	0.423	4	107.3083	0.179	4	108.5518	1.343	12	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	C(C[5]N[5,5]C[5]H)(OSi)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]N[5,5]C[5]H)(OSi)(H)2	H(C[5]N[5,5]C[5]C)	110.9210	0.000	1	110.9210	0.000	1	108.5518	1.343	12	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H)	C(C[5]N[5,5]C[5]H)(OC)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H){1|S<2>,4|C<3>}	C(C[5]N[5,5]C[5]H)(OC)(H)2	H(C[5]N[5,5]C[5]C)	109.3470	0.000	1	109.3470	0.000	1	108.5518	1.343	12	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H)	C(C[5]N[5,6]C[5]H)(OSi)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]N[5,6]C[5]H)(OSi)(H)2	H(C[5]N[5,6]C[5]C)	108.5690	0.000	1	108.5690	0.000	1	108.7424	2.187	5	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H)	C(C[5]N[5,6]C[5]H)(OH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<2>,3|C<4>,3|H<1>}	C(C[5]N[5,6]C[5]H)(OH)(H)2	H(C[5]N[5,6]C[5]C)	106.3580	0.000	1	106.3580	0.000	1	108.7424	2.187	5	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H)	C(C[5]N[5,6]C[5]H)(OH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H){3|H<1>,4|C<4>}	C(C[5]N[5,6]C[5]H)(OH)(H)2	H(C[5]N[5,6]C[5]C)	109.4590	0.000	1	109.4590	0.000	1	108.7424	2.187	5	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H)	C(C[5]N[5,6]C[5]H)(OH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[5]N[5,6]C[5]H)(OH)(H)2	H(C[5]N[5,6]C[5]C)	109.0210	0.000	1	109.0210	0.000	1	108.7424	2.187	5	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H)	C(C[5]N[5,6]C[5]H)(OSi)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|S<2>,2|O<1>}	C(C[5]N[5,6]C[5]H)(OSi)(H)2	H(C[5]N[5,6]C[5]C)	110.3050	0.000	1	110.3050	0.000	1	108.7424	2.187	5	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H)	C(C[5]N[5,6a]C[5,5]H)(OH)(H)2	H(C[5]N[5,6a]C[5,5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[5]N[5,6a]C[5,5]H)(OH)(H)2	H(C[5]N[5,6a]C[5,5]C)	109.4770	0.000	1	109.4770	0.000	1	109.4770	0.000	1	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	108.2835	2.848	2	108.2835	8.108	2	107.0520	26.683	5	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){2|C<3>,4|H<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	98.3350	0.000	1	98.3350	0.000	1	107.0520	26.683	5	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC[6a])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(OC[6a])(H)2	H(C[5]C[5]N[5]C)	110.1790	0.223	2	110.1790	0.050	2	107.0520	26.683	5	108.4108	6.122	25	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCHO)(H)	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCHO)(H){3|C<3>}	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	H(C[5]C[5]N[5]C)	108.4260	0.000	1	108.4260	0.000	1	108.4260	0.000	1	108.4260	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:2:4:4:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5]2H)(OC[6a])(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCCO)(H){2|C<3>,3|H<1>}	C(C[5]C[5]2H)(OC[6a])(CH3)2	H(C[5]C[5]2C)	108.9840	0.000	1	108.9840	0.000	1	108.9840	0.000	1	108.9840	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H)	C(C[5]C[5,5a]C[5]H)(COO)(H)2	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5]H)(COO)(H)2	H(C[5]C[5,5a]C[5]C)	109.7090	0.000	1	109.7090	0.000	1	110.4232	3.807	5	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,5a]C[5]H)(CCC)(H)2	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5]H)(CCC)(H)2	H(C[5]C[5,5a]C[5]C)	108.8560	0.000	1	108.8560	0.000	1	110.4232	3.807	5	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,5a]C[5]C)	109.9500	0.000	1	109.9500	0.000	1	110.4232	3.807	5	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,5a]C[5]C)	111.8005	2.872	2	111.8005	8.246	2	110.4232	3.807	5	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5,5a]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C(C[5]C[5,5a]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5a]C[5]C)	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5,5]C)	107.5726	0.256	7	107.4381	0.201	8	107.5600	0.392	12	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5,5]C)	106.4970	0.000	1	107.4381	0.201	8	107.5600	0.392	12	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	H(C[5]C[5,6a]C[5,5]C)	108.5080	0.000	1	108.5080	0.000	1	107.5600	0.392	12	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5,5]C)	106.4660	0.000	1	107.3790	1.667	2	107.5600	0.392	12	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H){1|H<1>,1|O<1>,6|C<3>}	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5,5]C)	108.2920	0.000	1	107.3790	1.667	2	107.5600	0.392	12	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CCH)(H)2	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CCHH)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,5]H)(CCH)(H)2	H(C[5]C[5,6a]C[5,5]C)	107.9490	0.000	1	107.9490	0.000	1	107.5600	0.392	12	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C[5a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(CC[5a]HH)(H)	C(C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]O[5a])(H)2	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(CC[5a]HH)(H){1|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]O[5a])(H)2	H(C[5]C[5,6a]C[5,5]C)	108.3610	0.000	1	108.3610	0.000	1	108.3610	0.000	1	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H)	C(C[5]C[5,6a]C[5,6]H)(COO)(H)2	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H){1|O<2>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]H)(COO)(H)2	H(C[5]C[5,6a]C[5,6]C)	107.5490	0.000	1	107.5490	0.000	1	107.2120	0.227	2	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CCHH)(H)	C(C[5]C[5,6a]C[5,6]H)(COO)(H)2	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CCHH)(H){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]H)(COO)(H)2	H(C[5]C[5,6a]C[5,6]C)	106.8750	0.000	1	106.8750	0.000	1	107.2120	0.227	2	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	H(C[5]C[5,6a]C[5]C)	107.6590	0.000	1	107.6590	0.000	1	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	107.8880	0.000	1	107.8880	0.000	1	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	106.9560	0.000	1	106.9560	0.000	1	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	109.7365	1.493	2	109.0900	0.896	9	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){1|S<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	108.8357	0.398	3	109.0900	0.896	9	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	108.9575	1.084	4	109.0900	0.896	9	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	109.5750	0.000	1	109.5750	0.000	1	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	109.4465	0.285	2	109.4465	0.081	2	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	108.8810	0.000	1	108.7525	0.033	2	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	108.6240	0.000	1	108.7525	0.033	2	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	107.1290	0.000	1	107.1290	0.000	1	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H){1|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(C[5]C[5,6a]C[5]C)	110.6010	0.478	2	110.6010	0.228	2	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	111.0260	0.000	1	111.0260	0.000	1	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	108.2435	1.742	2	108.2435	3.033	2	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	H(C[5]C[5,6a]C[5]C)	109.2760	0.000	1	109.2760	0.000	1	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	108.3270	0.000	1	108.3270	0.000	1	108.9493	1.376	25	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:F-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(F)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(F)(H)	H(C[5]C[5,6a]C[5]C)	109.8350	0.000	1	109.8350	0.000	1	109.8350	0.000	1	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]HH)(H){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]C[5]C)	109.5995	0.158	2	109.5995	0.025	2	109.9370	0.354	3	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6a]C[5]C)	110.6120	0.000	1	110.6120	0.000	1	109.9370	0.354	3	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H)	C(C[5]C[5,6a]C[5]H)(NHS)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(NHS)(H)2	H(C[5]C[5,6a]C[5]C)	108.9930	0.000	1	108.4980	0.237	3	109.2200	2.243	4	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H)	C(C[5]C[5,6a]C[5]H)(NHS)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(NHS)(H)2	H(C[5]C[5,6a]C[5]C)	108.2505	0.326	2	108.4980	0.237	3	109.2200	2.243	4	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CHHN)(H)	C(C[5]C[5,6a]C[5]H)(NOO)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CHHN)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(NOO)(H)2	H(C[5]C[5,6a]C[5]C)	111.3860	0.000	1	111.3860	0.000	1	109.2200	2.243	4	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCC)(H)2	H(C[5]C[5]2C)	107.0680	0.297	2	107.0680	0.088	2	108.5460	2.003	5	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	109.9930	0.000	1	109.9930	0.000	1	108.5460	2.003	5	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	109.3005	0.566	2	109.3005	0.321	2	108.5460	2.003	5	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]N[5,5]C[5]H)(CCN)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	C(C[5]N[5,5]C[5]H)(CCN)(H)2	H(C[5]N[5,5]C[5]C)	110.4120	0.000	1	110.4120	0.000	1	109.7657	0.331	3	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]N[5,5]C[5]H)(CCO)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	C(C[5]N[5,5]C[5]H)(CCO)(H)2	H(C[5]N[5,5]C[5]C)	109.5740	0.000	1	109.5740	0.000	1	109.7657	0.331	3	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H)	C(C[5]N[5,5]C[5]H)(CCH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H){2|C<4>,5|H<1>}	C(C[5]N[5,5]C[5]H)(CCH)(H)2	H(C[5]N[5,5]C[5]C)	109.3110	0.000	1	109.3110	0.000	1	109.7657	0.331	3	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5,5]C[5]C)	110.4515	0.164	4	110.4515	0.027	4	110.4515	0.027	4	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CHHN)(H)	C(C[5]N[5,5]C[5]H)(NCH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CHHN)(H){1|N<2>,1|N<3>,3|H<1>}	C(C[5]N[5,5]C[5]H)(NCH)(H)2	H(C[5]N[5,5]C[5]C)	109.4065	0.117	2	109.4065	0.014	2	109.4065	0.014	2	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H)	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	H(C[5]N[5,5a]C[5,5]C)	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	H(C[5]N[5,5a]C[5,5]C)	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H)	C(C[5]N[5,6]C[5]H)(CCC)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]N[5,6]C[5]H)(CCC)(H)2	H(C[5]N[5,6]C[5]C)	110.1080	0.000	1	110.1080	0.000	1	109.6696	0.147	5	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CCHH)(H)	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	H(C[5]N[5,6]C[5]C)	109.6375	0.340	2	109.6375	0.116	2	109.6696	0.147	5	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCHH)(H)	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	H(C[5]N[5,6]C[5]C)	109.1590	0.000	1	109.1590	0.000	1	109.6696	0.147	5	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]HH)(CCHH)(H)	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|O<1>}	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	H(C[5]N[5,6]C[5]C)	109.8060	0.000	1	109.8060	0.000	1	109.6696	0.147	5	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]N[5,6]C[5]C)	110.3075	0.677	2	110.3075	0.458	2	110.3075	0.458	2	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<3>,4|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	H(C[5]C[5]N[5]C)	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	H(C[5]C[5]N[5]C)	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	110.6663	0.533	3	110.6663	0.285	3	109.9718	0.370	12	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[4]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.8000	0.000	1	109.8000	0.000	1	109.9718	0.370	12	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]H)(C[5]C[5]2H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]H)(C[5]C[5]2H)(CC[6a]HH)(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.9870	0.000	1	109.9870	0.000	1	109.9718	0.370	12	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	110.1810	0.000	1	109.9630	0.095	2	109.9718	0.370	12	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.7450	0.000	1	109.9630	0.095	2	109.9718	0.370	12	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.3665	0.052	2	109.3665	0.003	2	109.9718	0.370	12	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	110.3500	0.000	1	110.3500	0.000	1	109.9718	0.370	12	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.4335	0.687	2	109.4335	0.471	2	109.9718	0.370	12	109.1670	1.651	90	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:2:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HO)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5,6]C[5]C)	109.6680	0.000	1	109.6680	0.000	1	109.6680	0.000	1	109.1930	0.451	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:2:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H)	C(C[5]N[5,6]C[5]H)(COO)(OH)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]N[5,6]C[5]H)(COO)(OH)(H)	H(C[5]N[5,6]C[5]C)	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	109.1930	0.451	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:2:2:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C-2:C-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CN)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]CC)(H){1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CN)2	H(C[5]C[5,6a]C[5]C)	108.2110	0.000	1	108.2110	0.000	1	108.2110	0.000	1	108.2110	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCCH)(H)	C(C[5]C[5,6a]C[5,6]H)(CC[6a]O)2(H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]H)(CC[6a]O)2(H)	H(C[5]C[5,6a]C[5,6]C)	106.9420	0.000	1	106.9420	0.000	1	106.9420	0.000	1	108.2546	0.746	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]CH)(H)	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(CCH)(H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(CCH)(H)	H(C[5]C[5,6a]C[5,6]C)	109.0510	0.024	2	109.0510	0.001	2	109.0510	0.001	2	108.2546	0.746	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCCH)(H)	C(C[5]C[5,6a]C[5]H)(COO)2(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)2(H)	H(C[5]C[5,6a]C[5]C)	107.5400	0.000	1	107.5400	0.000	1	107.5000	0.003	2	108.2546	0.746	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCCH)(H)	C(C[5]C[5,6a]C[5]H)(COO)2(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCCH)(H){2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)2(H)	H(C[5]C[5,6a]C[5]C)	107.4600	0.000	1	107.4600	0.000	1	107.5000	0.003	2	108.2546	0.746	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]HN)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(NCH)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]HN)(H){2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(NCH)(H)	H(C[5]C[5,6a]C[5]C)	108.7305	0.746	2	108.7305	0.557	2	108.7305	0.557	2	108.2546	0.746	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:3:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]2H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]2H)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5]N[5]C)	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	108.2546	0.746	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:3:2:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]2O)(H)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)2(OSi)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]2O)(H){1|Se<1>,1|N<2>,1|N<3>,2|H<1>}	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)2(OSi)	H(C[5]N[5,5]C[5]C)	109.1310	0.000	1	109.1310	0.000	1	109.1310	0.000	1	108.8305	0.581	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:3:2:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OS)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<4>,1|O<2>,5|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OS)	H(C[5]C[5]N[5]C)	107.8070	0.000	1	107.8070	0.000	1	108.7303	0.811	3	108.8305	0.581	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:3:2:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	H(C[5]C[5]N[5]C)	109.1920	0.585	2	109.1920	0.343	2	108.7303	0.811	3	108.8305	0.581	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHN)(H)	C(C[5]C[5,6a]C[5]H)(NC[6a]H)(CH3)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHN)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(NC[6a]H)(CH3)(H)	H(C[5]C[5,6a]C[5]C)	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	109.2000	0.169	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]N[5]H)(CC[6a]O)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]O)(CH3)(H)	H(C[5]C[5]N[5]C)	109.4000	0.000	1	109.4000	0.000	1	109.4000	0.000	1	109.2000	0.169	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]CH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]CH)(H){2|C<3>,4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	H(C[5]C[5]N[5]C)	108.6120	0.000	1	108.6120	0.000	1	108.9270	0.198	2	109.2000	0.169	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]CH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]CH)(H){1|O<1>,3|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(H)	H(C[5]C[5]N[5]C)	109.2420	0.000	1	109.2420	0.000	1	108.9270	0.198	2	109.2000	0.169	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:3:4:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CC[6a]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CH3)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CC[6a]CC)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CH3)2	H(C[5]C[5,6a]C[5]C)	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(CCHH)(H){2|C<3>,4|C<4>}	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	109.2740	0.000	1	109.2740	0.000	1	109.4745	0.114	4	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CHHO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,5]C[5]H)(CHHO)(H)2	H(C[5]C[5,5]C[5]C)	109.5413	0.380	3	109.5413	0.144	3	109.4745	0.114	4	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5a]C[5]H)(CC[6a]HH)(H)2	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,5a]C[5]H)(CC[6a]HH)(H)2	H(C[5]C[5,5a]C[5]C)	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CHSS)(H)2	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,5]H)(CHSS)(H)2	H(C[5]C[5,6a]C[5,5]C)	109.8470	0.000	1	109.8470	0.000	1	108.8525	1.978	2	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CCHH)(H)2	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CCHH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,5]H)(CCHH)(H)2	H(C[5]C[5,6a]C[5,5]C)	107.8580	0.000	1	107.8580	0.000	1	108.8525	1.978	2	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	H(C[5]C[5,6a]C[5]C)	107.7280	0.000	1	107.7280	0.000	1	108.5505	3.874	21	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CH3)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CH3)(H)2	H(C[5]C[5,6a]C[5]C)	110.2513	0.348	3	110.2513	0.121	3	108.5505	3.874	21	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	H(C[5]C[5,6a]C[5]C)	110.6720	1.704	2	110.6720	2.904	2	108.5505	3.874	21	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[5]CH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(CC[5]CH)(H)2	H(C[5]C[5,6a]C[5]C)	104.9490	0.000	1	104.9490	0.000	1	108.5505	3.874	21	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	H(C[5]C[5,6a]C[5]C)	106.6220	0.000	1	106.6220	0.000	1	108.5505	3.874	21	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CCHH)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(C[5]C[5,6a]C[5]C)	110.4090	0.000	1	110.4090	0.000	1	108.5505	3.874	21	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(C[5]C[5,6a]C[5]C)	107.7580	0.000	1	107.7580	0.000	1	108.5505	3.874	21	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(C[5]C[5,6a]C[5]C)	110.1810	0.000	1	110.1810	0.000	1	108.5505	3.874	21	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]HH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CCHH)(H){1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]HH)(H)2	H(C[5]C[5,6a]C[5]C)	109.7490	0.000	1	109.7490	0.000	1	108.5505	3.874	21	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(C[5]C[5,6a]C[5]C)	107.6666	1.026	5	107.6666	1.054	5	108.5505	3.874	21	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CF3)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CF3)(H)2	H(C[5]C[5,6a]C[5]C)	109.4320	0.000	1	109.4320	0.000	1	108.5505	3.874	21	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	H(C[5]C[5,6a]C[5]C)	110.9400	0.000	1	110.9400	0.000	1	108.5505	3.874	21	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC3)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CC3)(H)2	H(C[5]C[5,6a]C[5]C)	105.6810	0.199	2	105.6810	0.040	2	108.5505	3.874	21	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:Si-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H)	C(C[5]C[5,6a]C[5]H)(SiCl3)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H){1|Cl<1>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(SiCl3)(H)2	H(C[5]C[5,6a]C[5]C)	109.2060	0.000	1	109.2060	0.000	1	109.2060	0.000	1	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CH3)(H)2	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]N[5]H)(CH3)(H)2	H(C[5]C[5,6a]N[5]C)	109.1930	0.000	1	109.1930	0.000	1	109.1930	0.000	1	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CClCH)(H)	C(C[5]C[5]2H)(CCHH)(Cl)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CClCH)(H){2|C<3>,3|C<4>}	C(C[5]C[5]2H)(CCHH)(Cl)(H)	H(C[5]C[5]2C)	110.3590	0.000	1	110.3590	0.000	1	110.3590	0.000	1	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	109.4270	0.000	1	109.4270	0.000	1	109.0791	1.396	14	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,3|H<1>}	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(C[5]C[5]2C)	110.8610	0.000	1	110.8610	0.000	1	109.0791	1.396	14	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(CC[5]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<2>}	C(C[5]C[5]2H)(CC[5]HO)(H)2	H(C[5]C[5]2C)	109.6490	0.000	1	109.6490	0.000	1	109.0791	1.396	14	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H){1|C<4>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.7835	1.647	4	108.3517	2.144	6	109.0791	1.396	14	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H){1|Ni<4>,1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.4880	0.588	2	108.3517	2.144	6	109.0791	1.396	14	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HN)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HN)(CCHH)(H){1|H<1>,4|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	109.4162	0.154	4	109.4162	0.024	4	109.0791	1.396	14	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	109.3950	0.000	1	109.3950	0.000	1	109.0791	1.396	14	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H)	C(C[5]C[5]2H)(CCHH)(H)(I)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H){2|C<3>,3|C<4>}	C(C[5]C[5]2H)(CCHH)(H)(I)	H(C[5]C[5]2C)	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(CCHH)(H)	C(C[5]C[5,5]N[5,5]H)(CCCH)(H)2	H(C[5]C[5,5]N[5,5]C)	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>,3|O<1>}	C(C[5]C[5,5]N[5,5]H)(CCCH)(H)2	H(C[5]C[5,5]N[5,5]C)	108.0950	0.000	1	108.0950	0.000	1	108.0950	0.000	1	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]N[5,5]C[5]H)(CBr2H)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]N[5,5]C[5]H)(CBr2H)(H)2	H(C[5]N[5,5]C[5]C)	109.8380	0.000	1	109.8380	0.000	1	109.6520	0.103	6	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	H(C[5]N[5,5]C[5]C)	109.2790	0.000	1	109.2790	0.000	1	109.6520	0.103	6	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(CCHH)(H)	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	H(C[5]N[5,5]C[5]C)	109.9080	0.303	2	109.9080	0.092	2	109.6520	0.103	6	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]N[5,5]C[5]H)(CC[6a]HH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<4>,2|O<1>}	C(C[5]N[5,5]C[5]H)(CC[6a]HH)(H)2	H(C[5]N[5,5]C[5]C)	109.4895	0.252	2	109.4895	0.064	2	109.6520	0.103	6	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CHHS)(H)	C(C[5]N[5,5]C[5]H)(SC[6a]NO)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CHHS)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]N[5,5]C[5]H)(SC[6a]NO)(H)2	H(C[5]N[5,5]C[5]C)	109.6020	0.000	1	109.6020	0.000	1	109.6020	0.000	1	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H)	C(C[5]N[5,6]C[5]H)(CC[6a]HH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]N[5,6]C[5]H)(CC[6a]HH)(H)2	H(C[5]N[5,6]C[5]C)	110.0815	0.026	2	110.0815	0.001	2	110.0815	0.001	2	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H)	C(C[5]N[5,6a]C[5]H)(CCHH)(H)2	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H){1|O<1>,3|C<3>}	C(C[5]N[5,6a]C[5]H)(CCHH)(H)2	H(C[5]N[5,6a]C[5]C)	110.3830	0.000	1	110.3830	0.000	1	110.3830	0.000	1	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:B-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H)	C(C[5]C[5]N[5]H)(BC[6a]3)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H){1|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(BC[6a]3)(H)2	H(C[5]C[5]N[5]C)	109.6690	0.000	1	108.6390	2.122	2	108.6390	2.122	2	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:B-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H)	C(C[5]C[5]N[5]H)(BC[6a]3)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H){1|Li<7>,3|C<3>}	C(C[5]C[5]N[5]H)(BC[6a]3)(H)2	H(C[5]C[5]N[5]C)	107.6090	0.000	1	108.6390	2.122	2	108.6390	2.122	2	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(CCHH)(H){1|Rh<6>,3|C<3>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	114.2740	0.000	1	114.2740	0.000	1	110.5417	2.343	12	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]N[5]H)(CHHO)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CHHO)(H)2	H(C[5]C[5]N[5]C)	111.4070	0.000	1	111.4070	0.000	1	110.5417	2.343	12	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCFF)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<3>,4|H<1>}	C(C[5]C[5]N[5]H)(CCFF)(H)2	H(C[5]C[5]N[5]C)	110.2020	0.000	1	110.2020	0.000	1	110.5417	2.343	12	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]N[5]H)(CClCH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CClCH)(H)2	H(C[5]C[5]N[5]C)	109.9480	0.000	1	109.9480	0.000	1	110.5417	2.343	12	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]N[5]H)(CF3)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<3>,4|H<1>}	C(C[5]C[5]N[5]H)(CF3)(H)2	H(C[5]C[5]N[5]C)	109.9725	0.043	2	109.9725	0.002	2	110.5417	2.343	12	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H){1|Rh<6>,3|C<3>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	111.2937	0.576	3	111.2937	0.331	3	110.5417	2.343	12	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(CCHH)(H)	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(CCHH)(H){2|N<2>}	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	108.9480	0.025	3	108.9480	0.001	3	110.5417	2.343	12	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	H(C[5]C[5]N[5]C)	109.9215	0.268	2	109.9215	0.072	2	109.9215	0.072	2	109.3075	2.303	73	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:2:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHO)(H)	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHO)(H){1|C<4>,1|O<2>}	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	H(C[5]C[5]2C)	109.0690	0.000	1	109.0690	0.000	1	109.0690	0.000	1	109.4423	0.853	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]N[5,6a]C[5,5])(C[5]C[5]HH)(CCHO)(H)	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,6a]C[5,5])(C[5]C[5]HH)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	H(C[5]N[5,5]C[5]C)	108.3490	0.000	1	108.3490	0.000	1	108.3490	0.000	1	109.4423	0.853	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:2:1:	4:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H)	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	H(C[5]N[5,5a]C[5,5]C)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	H(C[5]N[5,5a]C[5,5]C)	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	109.4423	0.853	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCHO)(H)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCHO)(H){1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	H(C[5]C[5]N[5]C)	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	109.4423	0.853	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)(CCH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CH3)(CCH)(H)	H(C[5]C[5]N[5]C)	108.1120	0.000	1	108.1120	0.000	1	108.9747	0.598	3	108.9747	0.598	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)(CNO)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){2|C<3>,4|H<1>}	C(C[5]C[5]N[5]H)(CH3)(CNO)(H)	H(C[5]C[5]N[5]C)	109.4060	0.283	2	109.4060	0.080	2	108.9747	0.598	3	108.9747	0.598	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(CCCH)(H)	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	H(C[5]C[5,5a]C[5]C)	106.6350	0.000	1	106.6350	0.000	1	107.3030	0.892	2	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(H)	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	H(C[5]C[5,5a]C[5]C)	107.9710	0.000	1	107.9710	0.000	1	107.3030	0.892	2	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H)	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]C)	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5,5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H)	C(C[5]N[5,5,6]C[5]H)(CH3)2(H)	H(C[5]N[5,5,6]C[5]C)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H){1|O<1>,1|S<2>,2|C<4>}	C(C[5]N[5,5,6]C[5]H)(CH3)2(H)	H(C[5]N[5,5,6]C[5]C)	108.5720	0.456	3	108.5720	0.208	3	108.5720	0.208	3	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|F<1>,1|N<2>,1|N<3>,2|H<1>}	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	109.7385	0.357	2	109.5263	0.199	3	109.8995	1.064	15	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|N<2>,1|N<3>,3|H<1>}	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	109.1020	0.000	1	109.5263	0.199	3	109.8995	1.064	15	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|B<4>,1|C<3>,1|N<3>}	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	109.8422	0.323	6	110.2463	1.124	10	109.8995	1.064	15	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	112.1400	0.619	2	110.2463	1.124	10	109.8995	1.064	15	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|N<3>,1|P<3>}	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	109.5650	0.358	2	110.2463	1.124	10	109.8995	1.064	15	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	108.6570	0.000	1	108.6570	0.000	1	109.8995	1.064	15	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(CCCH)(H)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(CCCH)(H){1|H<1>,1|O<1>,3|C<3>}	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(C[5]N[5,5]C[5]C)	108.7940	0.000	1	108.7940	0.000	1	109.8995	1.064	15	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	C(C[5]N[5,6]C[5]H)(CH3)2(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[5]N[5,6]C[5]H)(CH3)2(H)	H(C[5]N[5,6]C[5]C)	108.3580	0.000	1	108.3580	0.000	1	108.3120	0.004	2	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(CCCH)(H)	C(C[5]N[5,6]C[5]H)(CH3)2(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]N[5,6]C[5]H)(CH3)2(H)	H(C[5]N[5,6]C[5]C)	108.2660	0.000	1	108.2660	0.000	1	108.3120	0.004	2	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.5560	0.000	1	109.5560	0.000	1	109.0813	0.830	13	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]N[5]HH)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[4]C[5])(C[5]N[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.1130	0.559	2	109.1130	0.312	2	109.0813	0.830	13	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]S[5]HH)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[4]C[5])(C[5]S[5]HH)(CCCH)(H){1|C<4>,1|N<2>,1|S<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.1190	0.000	1	108.1190	0.000	1	109.0813	0.830	13	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CCCH)(H){1|C<4>,1|O<2>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	106.4880	0.000	1	106.4880	0.000	1	109.0813	0.830	13	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.1490	0.167	2	109.1490	0.028	2	109.0813	0.830	13	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.6043	0.374	3	109.6043	0.140	3	109.0813	0.830	13	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(C[5]C[5]N[5]C)	109.7080	0.000	1	109.7080	0.000	1	109.0813	0.830	13	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<4>,3|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.4245	0.054	2	109.4245	0.003	2	109.0813	0.830	13	109.1670	1.327	37	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:2:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-2:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CC3)(H)	C(C[5]C[5,6a]C[5]H)(CH3)2(CN)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CC3)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]H)(CH3)2(CN)	H(C[5]C[5,6a]C[5]C)	108.9155	0.070	2	108.9155	0.005	2	108.9155	0.005	2	108.7827	0.055	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:2:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(CCCO)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5]N[5]C)	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	108.7827	0.055	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:3:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:N-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCCN)(H)	C(C[5]C[5,6a]C[5]H)(CH3)2(NCH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCCN)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]H)(CH3)2(NCH)	H(C[5]C[5,6a]C[5]C)	107.0600	0.000	1	107.0600	0.000	1	107.0600	0.000	1	107.0600	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[3,5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CC3)(H)	C(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	H(C[5]C[5,6a]C[3,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CC3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	H(C[5]C[5,6a]C[3,5]C)	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	107.5304	3.988	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:4:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H)	C(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H){1|C<4>,3|C<3>}	C(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2C)	105.2037	0.674	4	105.9090	2.828	5	105.9090	2.828	5	107.5304	3.988	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:4:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H)	C(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H){4|C<3>}	C(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2C)	108.7300	0.000	1	105.9090	2.828	5	105.9090	2.828	5	107.5304	3.988	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CC3)(H)	C(C[5]N[5,5]C[5]H)(CH3)3	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CC3)(H){1|B<4>,1|C<3>,1|N<3>}	C(C[5]N[5,5]C[5]H)(CH3)3	H(C[5]N[5,5]C[5]C)	109.9765	0.663	2	109.9765	0.439	2	109.5507	0.763	3	107.5304	3.988	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC3)(H)	C(C[5]N[5,5]C[5]H)(CH3)3	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC3)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]N[5,5]C[5]H)(CH3)3	H(C[5]N[5,5]C[5]C)	108.6990	0.000	1	108.6990	0.000	1	109.5507	0.763	3	107.5304	3.988	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:4:	4:	N[5,5]-3:S[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H)	C(C[5]N[5,5]S[5]H)(CH3)3	H(C[5]N[5,5]S[5]C)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]N[5,5]S[5]H)(CH3)3	H(C[5]N[5,5]S[5]C)	107.9600	0.000	1	108.4455	0.471	2	108.4455	0.471	2	107.5304	3.988	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:4:	4:	N[5,5]-3:S[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H)	C(C[5]N[5,5]S[5]H)(CH3)3	H(C[5]N[5,5]S[5]C)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	C(C[5]N[5,5]S[5]H)(CH3)3	H(C[5]N[5,5]S[5]C)	108.9310	0.000	1	108.4455	0.471	2	108.4455	0.471	2	107.5304	3.988	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC3)(H)	C(C[5]N[5,6]C[5]H)(CH3)3	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]N[5,6]C[5]H)(CH3)3	H(C[5]N[5,6]C[5]C)	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	107.5304	3.988	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CC3)(H){1|Ru<5>,1|C<4>,2|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	109.0155	0.028	2	109.0155	0.001	2	107.0896	4.874	5	107.5304	3.988	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5]Si[3,5]C)(C[5]N[5]HH)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](N[5]Si[3,5]C)(C[5]N[5]HH)(CC3)(H){1|Si<4>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	106.8950	0.106	2	106.8950	0.011	2	107.0896	4.874	5	107.5304	3.988	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	3:4:4:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5]Si[5,5]C)(C[5]N[5]HH)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](N[5]Si[5,5]C)(C[5]N[5]HH)(CC3)(H){1|C<4>,2|N<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	103.6270	0.000	1	103.6270	0.000	1	107.0896	4.874	5	107.5304	3.988	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:2:1:	3:3:4:1:	4:	C-4:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](CC[6a]2H)(O[5]C[5])2(H)	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	H(C[5]O[5]2C)	C[5](CC[6a]2H)(O[5]C[5])2(H){4|H<1>}	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	H(C[5]O[5]2C)	109.6340	0.191	2	109.6340	0.036	2	109.6340	0.036	2	109.6340	0.036	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:2:1:	3:3:4:4:	4:	C-4:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](CC[6a]2C)(O[5]C[5])2(H)	C(C[6a]C[6a]2)2(C[5]O[5]2H)(CH3)	H(C[5]O[5]2C)	C[5](CC[6a]2C)(O[5]C[5])2(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)2(C[5]O[5]2H)(CH3)	H(C[5]O[5]2C)	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:2:1:	3:4:1:1:	4:	C-4:O[5]-2:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](CN[5a]HH)(O[5]C[5])2(H)	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	H(C[5]O[5]2C)	C[5](CN[5a]HH)(O[5]C[5])2(H){4|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	H(C[5]O[5]2C)	109.1964	0.421	5	109.1964	0.177	5	109.1964	0.177	5	109.1964	0.177	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CC[5a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	109.1522	4.166	19	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CC[6]HH)(H)	C(C[6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]C[5])(CC[6]HH)(H){1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	108.1800	0.219	2	108.1800	0.048	2	108.1800	0.048	2	109.1522	4.166	19	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CN[5]HH)(H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CN[5]HH)(H){1|C<3>}	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	113.8840	0.000	1	113.8840	0.000	1	110.0639	3.639	7	109.1522	4.166	19	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H){2|C<4>}	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	109.0570	0.464	2	109.0570	0.215	2	110.0639	3.639	7	109.1522	4.166	19	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H){2|C<3>}	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	109.2550	1.151	3	109.2550	1.326	3	110.0639	3.639	7	109.1522	4.166	19	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CN[5]HH)(H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CN[5]HH)(H){1|O<1>}	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	110.6840	0.000	1	110.6840	0.000	1	110.0639	3.639	7	109.1522	4.166	19	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H){2|H<1>,2|O<2>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	108.1667	2.450	7	108.1667	6.001	7	108.3579	5.436	8	109.1522	4.166	19	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(CN[5a]HH)(H){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	109.6960	0.000	1	109.6960	0.000	1	108.3579	5.436	8	109.1522	4.166	19	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H)	C(N[6]C[6,6a]C[6])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H){1|C<3>}	C(N[6]C[6,6a]C[6])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	109.6340	0.000	1	109.6340	0.000	1	109.6340	0.000	1	109.1522	4.166	19	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	H(C[5]C[5]O[5]C)	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(CCl3)(H)	C(C[5]C[3,5]O[5]H)(Cl)3	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(CCl3)(H){1|C<3>,1|O<1>,2|C<4>}	C(C[5]C[3,5]O[5]H)(Cl)3	H(C[5]C[3,5]O[5]C)	109.6140	0.000	1	109.6140	0.000	1	109.6140	0.000	1	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3x5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,6])(O[5]C[5])(CH3)(H)	C(C[5]C[3x5,6]O[5]H)(H)3	H(C[5]C[3x5,6]O[5]C)	C[5](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,6])(O[5]C[5])(CH3)(H){1|O<1>,2|O<2>,4|C<4>}	C(C[5]C[3x5,6]O[5]H)(H)3	H(C[5]C[3x5,6]O[5]C)	108.1550	0.197	4	108.1550	0.039	4	108.1550	0.039	4	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3x5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3,3x5]C[5,6a]2)(O[5]C[5])(CH3)(H)	C(C[5]C[3x5]O[5]H)(H)3	H(C[5]C[3x5]O[5]C)	C[5](C[3x5]C[3,3x5]C[5,6a]2)(O[5]C[5])(CH3)(H){1|O<1>,2|C<4>,4|C<3>}	C(C[5]C[3x5]O[5]H)(H)3	H(C[5]C[3x5]O[5]C)	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[4,5,5]-4:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(S[5]C[5])(CH3)(H)	C(C[5]C[4,5,5]S[5]H)(H)3	H(C[5]C[4,5,5]S[5]C)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(S[5]C[5])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[4,5,5]S[5]H)(H)3	H(C[5]C[4,5,5]S[5]C)	108.9890	0.000	1	108.9890	0.000	1	108.9890	0.000	1	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H)	C(C[5]C[4,5]O[5]H)(H)3	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C(C[5]C[4,5]O[5]H)(H)3	H(C[5]C[4,5]O[5]C)	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[4,5]-4:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(S[5]C[5])(CH3)(H)	C(C[5]C[4,5]S[5]H)(H)3	H(C[5]C[4,5]S[5]C)	C[5](C[4,5]C[4,5,5]C[4,5]H)(S[5]C[5])(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[4,5]S[5]H)(H)3	H(C[5]C[4,5]S[5]C)	108.9660	0.000	1	108.9660	0.000	1	108.2993	0.948	4	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[4,5]-4:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]2C)(S[5]C[5])(CH3)(H)	C(C[5]C[4,5]S[5]H)(H)3	H(C[5]C[4,5]S[5]C)	C[5](C[4,5]C[4,5]2C)(S[5]C[5])(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[4,5]S[5]H)(H)3	H(C[5]C[4,5]S[5]C)	107.7640	0.000	1	107.7640	0.000	1	108.2993	0.948	4	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[4,5]-4:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]2H)(S[5]C[5])(CH3)(H)	C(C[5]C[4,5]S[5]H)(H)3	H(C[5]C[4,5]S[5]C)	C[5](C[4,5]C[4,5]2H)(S[5]C[5])(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[4,5]S[5]H)(H)3	H(C[5]C[4,5]S[5]C)	109.2590	0.000	1	109.2590	0.000	1	108.2993	0.948	4	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[4,5]-4:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[6a]O[4])(S[5]C[5])(CH3)(H)	C(C[5]C[4,5]S[5]H)(H)3	H(C[5]C[4,5]S[5]C)	C[5](C[4,5]C[4,5]C[6a]O[4])(S[5]C[5])(CH3)(H){1|C<4>,1|O<2>,4|C<3>}	C(C[5]C[4,5]S[5]H)(H)3	H(C[5]C[4,5]S[5]C)	107.2080	0.000	1	107.2080	0.000	1	108.2993	0.948	4	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(O[5]C[5])(CH3)(H)	C(C[5]C[5,5,6]O[5]H)(H)3	H(C[5]C[5,5,6]O[5]C)	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(O[5]C[5])(CH3)(H){1|C<3>,2|O<1>,3|C<4>}	C(C[5]C[5,5,6]O[5]H)(H)3	H(C[5]C[5,5,6]O[5]C)	107.6540	0.000	1	107.6540	0.000	1	107.6220	0.002	2	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5])(CH3)(H)	C(C[5]C[5,5,6]O[5]H)(H)3	H(C[5]C[5,5,6]O[5]C)	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>}	C(C[5]C[5,5,6]O[5]H)(H)3	H(C[5]C[5,5,6]O[5]C)	107.5900	0.000	1	107.5900	0.000	1	107.6220	0.002	2	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CClHH)(H)	C(C[5]C[5,5]O[5]H)(Cl)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CClHH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C(C[5]C[5,5]O[5]H)(Cl)(H)2	H(C[5]C[5,5]O[5]C)	109.3520	0.000	1	109.3520	0.000	1	109.3520	0.000	1	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(H)	C(C[5]C[5,5]O[5]H)(F)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(C[5]C[5,5]O[5]H)(F)3	H(C[5]C[5,5]O[5]C)	107.5410	0.000	1	107.5410	0.000	1	107.5410	0.000	1	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	109.4120	0.424	2	109.4120	0.180	2	109.3033	1.985	32	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,2|C<4>,2|O<1>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	108.9903	1.830	4	108.9903	3.349	4	109.3033	1.985	32	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	108.4720	0.000	1	108.4720	0.000	1	109.3033	1.985	32	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	110.5895	0.602	2	110.5895	0.362	2	109.3033	1.985	32	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	109.3740	0.120	2	109.3740	0.014	2	109.3033	1.985	32	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	110.2360	0.000	1	110.2360	0.000	1	109.3033	1.985	32	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	112.4840	0.000	1	112.4840	0.000	1	109.3033	1.985	32	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	109.3220	0.358	2	108.8770	0.463	5	109.3033	1.985	32	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	108.1950	0.000	1	108.8770	0.463	5	109.3033	1.985	32	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	109.4220	0.000	1	108.8770	0.463	5	109.3033	1.985	32	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	108.1240	0.000	1	108.8770	0.463	5	109.3033	1.985	32	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	108.1956	0.715	8	109.1013	2.477	14	109.3033	1.985	32	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	111.5340	0.000	1	109.1013	2.477	14	109.3033	1.985	32	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	111.0177	0.999	3	109.1013	2.477	14	109.3033	1.985	32	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]H)(H)3	H(C[5]C[5,5]O[5]C)	108.6330	1.638	2	109.1013	2.477	14	109.3033	1.985	32	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H)	C(C[5]C[5,5]O[5]H)(H)2(I)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H){1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5,5]O[5]H)(H)2(I)	H(C[5]C[5,5]O[5]C)	109.6165	0.534	2	109.3887	0.298	3	109.3887	0.298	3	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H)	C(C[5]C[5,5]O[5]H)(H)2(I)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,5]O[5]H)(H)2(I)	H(C[5]C[5,5]O[5]C)	108.9330	0.000	1	109.3887	0.298	3	109.3887	0.298	3	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]N[5,6,6])(CH3)(H)	C(C[5]C[5,6,6]O[5]H)(H)3	H(C[5]C[5,6,6]O[5]C)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]N[5,6,6])(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6,6]O[5]H)(H)3	H(C[5]C[5,6,6]O[5]C)	109.5873	0.160	3	109.5873	0.025	3	108.9970	0.679	5	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(CH3)(H)	C(C[5]C[5,6,6]O[5]H)(H)3	H(C[5]C[5,6,6]O[5]C)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(CH3)(H){2|C<4>,2|N<3>,6|H<1>}	C(C[5]C[5,6,6]O[5]H)(H)3	H(C[5]C[5,6,6]O[5]C)	108.1115	0.223	2	108.1115	0.050	2	108.9970	0.679	5	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H){1|C<4>,2|O<2>,4|C<3>}	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	108.9360	0.058	2	108.9360	0.003	2	109.5292	0.953	17	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	109.1810	0.000	1	109.1810	0.000	1	109.5292	0.953	17	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	109.6755	0.035	2	109.6755	0.001	2	109.5292	0.953	17	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	108.9320	0.000	1	108.9320	0.000	1	109.5292	0.953	17	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	110.8990	0.000	1	110.5313	2.010	3	109.5292	0.953	17	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	108.9660	0.000	1	110.5313	2.010	3	109.5292	0.953	17	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	111.7290	0.000	1	110.5313	2.010	3	109.5292	0.953	17	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CH3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	109.2680	0.561	3	109.2680	0.315	3	109.5292	0.953	17	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CH3)(H){4|C<3>,4|H<1>}	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	107.3700	0.000	1	107.3700	0.000	1	109.5292	0.953	17	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	109.2810	0.000	1	109.2810	0.000	1	109.5292	0.953	17	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	110.3540	0.000	1	110.2040	0.029	3	109.5292	0.953	17	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6]O[5]H)(H)3	H(C[5]C[5,6]O[5]C)	110.1290	0.154	2	110.2040	0.029	3	109.5292	0.953	17	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHI)(H)	C(C[5]C[5,6]O[5]H)(H)2(I)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHI)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5,6]O[5]H)(H)2(I)	H(C[5]C[5,6]O[5]C)	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(S[5]C[5])(CH3)(H)	C(C[5]C[5,6]S[5]H)(H)3	H(C[5]C[5,6]S[5]C)	C[5](C[5,6]C[5,6]C[6]Cr)(S[5]C[5])(CH3)(H){2|C<4>,3|H<1>}	C(C[5]C[5,6]S[5]H)(H)3	H(C[5]C[5,6]S[5]C)	109.2320	0.000	1	109.2320	0.000	1	109.2320	0.000	1	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H){1|O<2>,5|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.4140	0.000	1	109.0203	0.189	4	109.2343	0.171	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H){6|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	108.8890	0.425	3	109.0203	0.189	4	109.2343	0.171	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5])(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5])(CF3)(H){1|S<2>,5|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.2660	0.000	1	109.2660	0.000	1	109.2343	0.171	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CF3)(H){1|H<1>,5|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.2320	0.000	1	109.2320	0.000	1	109.2343	0.171	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CF3)(H){1|C<4>,2|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.4190	0.000	1	109.4190	0.000	1	109.2343	0.171	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.8760	0.000	1	109.8760	0.000	1	109.2343	0.171	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]N[5])(CFFH)(H)	C(C[5]C[5]N[5]H)(F)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]N[5])(CFFH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(F)2(H)	H(C[5]C[5]N[5]C)	109.7530	0.000	1	109.7530	0.000	1	109.7530	0.000	1	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CH3)(H){1|S<1>,2|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	110.2880	0.000	1	110.2880	0.000	1	109.3445	0.479	11	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5])(CH3)(H){1|C<4>,1|N<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.7450	1.030	2	108.7450	1.060	2	109.3445	0.479	11	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5])(CH3)(H){1|O<2>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.9500	0.000	1	108.9500	0.000	1	109.3445	0.479	11	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.3607	0.500	4	109.5668	0.400	5	109.3445	0.479	11	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H){1|C<4>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	110.3910	0.000	1	109.5668	0.400	5	109.3445	0.479	11	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)(H){1|C<4>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.1140	0.117	2	109.1140	0.014	2	109.3445	0.479	11	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H)	C(C[5]C[5]O[5]H)(Br)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H){1|C<4>,2|O<2>,3|C<3>}	C(C[5]C[5]O[5]H)(Br)(H)2	H(C[5]C[5]O[5]C)	108.7280	0.335	2	108.7280	0.112	2	109.5305	0.563	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(CBrHH)(H)	C(C[5]C[5]O[5]H)(Br)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(CBrHH)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]H)(Br)(H)2	H(C[5]C[5]O[5]C)	109.8955	0.759	2	109.8955	0.576	2	109.5305	0.563	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CBrHH)(H)	C(C[5]C[5]O[5]H)(Br)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CBrHH)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(Br)(H)2	H(C[5]C[5]O[5]C)	109.3620	0.000	1	109.3620	0.000	1	109.5305	0.563	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H)	C(C[5]C[5]O[5]H)(Br)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(Br)(H)2	H(C[5]C[5]O[5]C)	109.4430	0.000	1	109.4430	0.000	1	109.5305	0.563	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CBrHH)(H)	C(C[5]C[5]O[5]H)(Br)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CBrHH)(H){1|C<3>,1|S<4>}	C(C[5]C[5]O[5]H)(Br)(H)2	H(C[5]C[5]O[5]C)	110.0960	1.013	2	110.0960	1.025	2	109.5305	0.563	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(CCl3)(H)	C(C[5]C[5]O[5]H)(Cl)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(CCl3)(H){4|C<3>}	C(C[5]C[5]O[5]H)(Cl)3	H(C[5]C[5]O[5]C)	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(CClHH)(H)	C(C[5]C[5]O[5]H)(Cl)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(CClHH)(H){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(Cl)(H)2	H(C[5]C[5]O[5]C)	109.0095	0.023	2	109.0095	0.001	2	109.3573	0.086	7	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H)	C(C[5]C[5]O[5]H)(Cl)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(Cl)(H)2	H(C[5]C[5]O[5]C)	109.4145	0.122	4	109.4145	0.015	4	109.3573	0.086	7	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CClHH)(H)	C(C[5]C[5]O[5]H)(Cl)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CClHH)(H){3|C<3>}	C(C[5]C[5]O[5]H)(Cl)(H)2	H(C[5]C[5]O[5]C)	109.8240	0.000	1	109.8240	0.000	1	109.3573	0.086	7	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.4495	0.155	2	109.4495	0.024	2	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.5250	0.000	1	109.5250	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(CH3)(H){2|C<3>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	107.7590	0.055	2	107.7590	0.003	2	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.4370	0.000	1	108.4370	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.6260	0.000	1	109.1467	0.227	3	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.4070	0.216	2	109.1467	0.227	3	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.0560	0.068	2	108.0560	0.005	2	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.8075	0.767	2	108.8075	0.589	2	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.6647	0.722	6	108.6647	0.521	6	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]N[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]2H)(O[5]N[5])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	104.6110	0.000	1	104.6110	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	105.1250	0.000	1	105.1250	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.9587	0.240	4	108.9587	0.058	4	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.6660	0.000	1	108.9517	0.509	3	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.7640	0.000	1	108.9517	0.509	3	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.4250	0.000	1	108.9517	0.509	3	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.1440	0.000	1	108.2465	1.611	2	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H){4|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	107.3490	0.000	1	108.2465	1.611	2	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.5620	0.000	1	108.5620	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.8830	0.000	1	108.5736	1.774	7	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.8690	0.427	5	108.5736	1.774	7	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|O<1>,2|N<3>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	105.7870	0.000	1	108.5736	1.774	7	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.4370	0.000	1	110.0613	2.925	3	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	110.3735	2.295	2	110.0613	2.925	3	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	110.0960	0.229	2	109.2560	2.750	16	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.2810	0.000	1	109.2560	2.750	16	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.7540	0.000	1	109.2560	2.750	16	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.4410	0.000	1	109.2560	2.750	16	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|S<4>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.9040	0.000	1	109.2560	2.750	16	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	110.6930	0.069	2	109.2560	2.750	16	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.6270	0.000	1	109.2560	2.750	16	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|S<2>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	111.2300	0.000	1	109.2560	2.750	16	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.5920	0.000	1	109.2560	2.750	16	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.2540	0.146	2	109.2560	2.750	16	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.5320	0.000	1	109.2560	2.750	16	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Re<6>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	105.5340	0.000	1	109.2560	2.750	16	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Ru<9>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	105.1150	0.000	1	109.2560	2.750	16	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CH3)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.2270	0.000	1	109.2270	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H){1|O<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.9330	0.000	1	109.9330	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.8680	0.000	1	109.4750	1.390	13	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	112.5870	0.000	1	109.4750	1.390	13	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	110.4970	0.991	2	109.4750	1.390	13	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|I<1>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.7760	0.000	1	109.4750	1.390	13	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|S<3>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.1360	0.000	1	109.4750	1.390	13	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.2870	0.000	1	109.4750	1.390	13	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,1|S<2>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.0520	0.000	1	109.4750	1.390	13	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.2740	0.000	1	109.4750	1.390	13	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.9320	0.733	2	109.4750	1.390	13	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.1685	0.080	2	109.4750	1.390	13	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.6030	0.000	1	108.6030	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.7752	0.445	8	109.7752	0.198	8	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CH3)(H){1|H<1>,4|C<3>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	110.1885	0.648	2	110.1885	0.420	2	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.7550	0.120	2	109.7550	0.014	2	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[3x5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5,5]CH)(O[5]C[3x5])(CH3)(H){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.4900	0.000	1	108.4900	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(CH3)(H){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	106.0310	0.000	1	106.0310	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(CH3)(H){1|B<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.7210	0.000	1	109.7210	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]HH)(O[5]C[5,5a])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5,5a]HH)(O[5]C[5,5a])(CH3)(H){1|C<3>,1|N<2>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.0020	0.000	1	109.0020	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.4255	0.186	2	109.4255	0.035	2	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5,5])(CH3)(H){3|C<3>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.3010	0.000	1	109.3010	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.8860	0.000	1	109.8302	1.622	18	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	110.5985	4.222	2	109.8302	1.622	18	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.9380	0.263	7	109.8302	1.622	18	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Cu<5>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.5675	0.247	2	109.8302	1.622	18	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.2540	0.000	1	109.8302	1.622	18	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Ru<6>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	110.9195	0.033	2	109.8302	1.622	18	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Ru<6>,3|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.5970	0.000	1	109.8302	1.622	18	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|S<4>,2|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.2050	0.000	1	109.8302	1.622	18	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|S<4>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.2640	0.000	1	109.8302	1.622	18	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5,5])(CH3)(H){3|C<3>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.2080	0.000	1	109.2080	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CH3)(H){1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	105.9160	0.000	1	105.9160	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(H){1|C<3>,2|O<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	110.2955	0.062	2	110.2955	0.004	2	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(H){2|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.3280	0.000	1	109.3280	0.000	1	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]B[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]B[5])(CH3)(H){1|C<3>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.1875	0.377	2	109.1875	0.142	2	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,5])(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.9205	2.009	2	108.9205	4.036	2	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.6130	0.000	1	109.8410	0.027	5	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){2|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.8980	0.122	4	109.8410	0.027	5	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.3507	0.608	3	109.0543	2.882	13	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.1820	0.000	1	109.0543	2.882	13	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|O<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.4275	0.441	2	109.0543	2.882	13	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.6920	0.000	1	109.0543	2.882	13	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){2|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	108.6542	2.519	6	109.0543	2.882	13	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]P[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]P[5])(CH3)(H){1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	99.1427	0.893	2	99.1427	0.798	2	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CH3)(H){2|C<4>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.7777	0.347	6	109.7777	0.120	6	109.0607	3.111	145	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H)	C(C[5]C[5]O[5]H)(H)2(I)	H(C[5]C[5]O[5]C)	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H){1|H<1>,3|C<4>}	C(C[5]C[5]O[5]H)(H)2(I)	H(C[5]C[5]O[5]C)	108.9430	0.486	4	108.9430	0.236	4	109.7234	3.238	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H)	C(C[5]C[5]O[5]H)(H)2(I)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)2(I)	H(C[5]C[5]O[5]C)	109.4270	0.000	1	109.4270	0.000	1	109.7234	3.238	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(H)	C(C[5]C[5]O[5]H)(H)2(I)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(H)2(I)	H(C[5]C[5]O[5]C)	108.9670	0.000	1	108.9670	0.000	1	109.7234	3.238	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H)	C(C[5]C[5]O[5]H)(H)2(I)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(H)2(I)	H(C[5]C[5]O[5]C)	109.5580	0.000	1	109.5580	0.000	1	109.7234	3.238	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H)	C(C[5]C[5]O[5]H)(H)2(I)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5]O[5]H)(H)2(I)	H(C[5]C[5]O[5]C)	114.0630	0.000	1	114.0630	0.000	1	109.7234	3.238	8	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(H)2(O)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C(C[5]C[5]O[5]H)(H)2(O)	H(C[5]C[5]O[5]C)	104.5475	0.204	2	107.4030	7.293	7	107.4030	7.293	7	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(H)2(O)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(H)2(O)	H(C[5]C[5]O[5]C)	107.8920	0.000	1	107.4030	7.293	7	107.4030	7.293	7	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(H)2(O)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(H)2(O)	H(C[5]C[5]O[5]C)	108.7085	2.604	4	107.4030	7.293	7	107.4030	7.293	7	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(S[5]S[5])(CH3)(H)	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HN)(S[5]S[5])(CH3)(H){2|H<1>}	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	108.9260	0.000	2	108.9260	0.000	2	106.3112	15.219	5	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H)	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H){1|C<4>,1|S<1>}	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	101.2650	0.000	1	102.0945	1.376	2	106.3112	15.219	5	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H)	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H){1|H<1>,1|S<1>}	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	102.9240	0.000	1	102.0945	1.376	2	106.3112	15.219	5	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)(H)	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)(H){1|S<2>}	C(C[5]C[5]S[5]H)(H)3	H(C[5]C[5]S[5]C)	109.5150	0.000	1	109.5150	0.000	1	106.3112	15.219	5	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(Se[5]C[5,6a])(CBrHH)(H)	C(C[5]Se[5]C[5]H)(Br)(H)2	H(C[5]Se[5]C[5]C)	C[5](C[5]C[5,6a]HH)(Se[5]C[5,6a])(CBrHH)(H){2|C<3>}	C(C[5]Se[5]C[5]H)(Br)(H)2	H(C[5]Se[5]C[5]C)	109.8730	0.000	1	109.8730	0.000	1	109.8730	0.000	1	109.0510	2.759	277	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H)	C(C[5]C[3,5]O[5]H)(OH)(H)2	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,3|H<1>}	C(C[5]C[3,5]O[5]H)(OH)(H)2	H(C[5]C[3,5]O[5]C)	109.6190	0.000	1	109.6190	0.000	1	109.6430	0.001	2	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[3,5]O[5]H)(OC)(H)2	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	C(C[5]C[3,5]O[5]H)(OC)(H)2	H(C[5]C[3,5]O[5]C)	109.6670	0.000	1	109.6670	0.000	1	109.6430	0.001	2	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H)	C(C[5]C[4,5]O[5]H)(OC)(H)2	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[4,5]O[5]H)(OC)(H)2	H(C[5]C[4,5]O[5]C)	108.8510	0.000	1	108.8510	0.000	1	108.2989	1.252	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[4,5]O[5]H)(OC)(H)2	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[4,5]O[5]H)(OC)(H)2	H(C[5]C[4,5]O[5]C)	108.5630	0.000	1	107.3263	1.158	3	108.2989	1.252	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[4,5]O[5]H)(OC)(H)2	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	C(C[5]C[4,5]O[5]H)(OC)(H)2	H(C[5]C[4,5]O[5]C)	106.8110	0.000	1	107.3263	1.158	3	108.2989	1.252	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[4,5]O[5]H)(OC)(H)2	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[4,5]O[5]H)(OC)(H)2	H(C[5]C[4,5]O[5]C)	106.6050	0.000	1	107.3263	1.158	3	108.2989	1.252	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[4,5]O[5]H)(OH)(H)2	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|N<3>,3|H<1>}	C(C[5]C[4,5]O[5]H)(OH)(H)2	H(C[5]C[4,5]O[5]C)	108.9120	0.000	1	109.0873	0.095	3	108.2989	1.252	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[4,5]O[5]H)(OH)(H)2	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|N<3>,3|H<1>}	C(C[5]C[4,5]O[5]H)(OH)(H)2	H(C[5]C[4,5]O[5]C)	108.9070	0.000	1	109.0873	0.095	3	108.2989	1.252	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[4,5]O[5]H)(OH)(H)2	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,4|H<1>}	C(C[5]C[4,5]O[5]H)(OH)(H)2	H(C[5]C[4,5]O[5]C)	109.4430	0.000	1	109.0873	0.095	3	108.2989	1.252	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	H(C[5]C[5,5,6]O[5]C)	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	H(C[5]C[5,5,6]O[5]C)	107.7800	0.000	1	107.7800	0.000	1	108.3757	0.744	4	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5,6]O[5]H)(OC)(H)2	H(C[5]C[5,5,6]O[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H){3|H<1>,4|C<4>}	C(C[5]C[5,5,6]O[5]H)(OC)(H)2	H(C[5]C[5,5,6]O[5]C)	109.0480	0.000	1	109.0480	0.000	1	108.3757	0.744	4	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	H(C[5]C[5,5,6]O[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	H(C[5]C[5,5,6]O[5]C)	107.4940	0.000	1	107.4940	0.000	1	108.3757	0.744	4	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	H(C[5]C[5,5,6]O[5]C)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	H(C[5]C[5,5,6]O[5]C)	109.1810	0.000	1	109.1810	0.000	1	108.3757	0.744	4	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:N[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CHHO)(H)	C(C[5]C[5,5]N[5]H)(OH)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]N[5]H)(OH)(H)2	H(C[5]C[5,5]N[5]C)	109.7860	0.000	1	109.7860	0.000	1	109.7860	0.000	1	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	C(C[5]C[5,5]O[5]H)(NN)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5,5]O[5]H)(NN)(H)2	H(C[5]C[5,5]O[5]C)	107.4090	0.000	1	107.4090	0.000	1	107.4090	0.000	1	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	108.6270	0.000	1	108.6270	0.000	1	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OC)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]O[5]H)(OC)(H)2	H(C[5]C[5,5]O[5]C)	109.6260	0.000	2	109.6260	0.000	2	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,5]O[5]H)(OSi)(H)2	H(C[5]C[5,5]O[5]C)	108.7610	0.000	1	108.7610	0.000	1	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	109.7770	0.000	1	109.7770	0.000	1	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	109.3030	0.000	1	109.3030	0.000	1	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,5]O[5]H)(OSi)(H)2	H(C[5]C[5,5]O[5]C)	108.1550	0.000	1	108.1550	0.000	1	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|S<4>,2|C<4>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	108.5020	0.000	1	108.5020	0.000	1	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	109.1235	0.278	4	109.1235	0.077	4	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[5]C[5,5]O[5]H)(OSi)(H)2	H(C[5]C[5,5]O[5]C)	108.9280	0.000	1	108.9280	0.000	1	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	108.5790	0.000	1	108.5790	0.000	1	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OC)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5,5]O[5]H)(OC)(H)2	H(C[5]C[5,5]O[5]C)	109.4280	0.000	1	108.9737	0.477	6	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OC)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5,5]O[5]H)(OC)(H)2	H(C[5]C[5,5]O[5]C)	108.8828	0.731	5	108.9737	0.477	6	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	109.0080	0.000	1	109.1848	1.542	6	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	108.7022	0.877	4	109.1848	1.542	6	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	111.2920	0.000	1	109.1848	1.542	6	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OP)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(OP)(H)2	H(C[5]C[5,5]O[5]C)	108.2780	0.421	2	108.2780	0.178	2	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]O[5]H)(OSi)(H)2	H(C[5]C[5,5]O[5]C)	107.1950	0.000	1	107.1950	0.000	1	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	108.6720	0.000	1	108.6720	0.000	1	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,1|S<1>,4|H<1>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(C[5]C[5,5]O[5]C)	109.4110	0.000	1	109.4110	0.000	1	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OC)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(OC)(H)2	H(C[5]C[5,5]O[5]C)	108.7330	0.000	1	108.7330	0.000	1	108.9343	0.584	32	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHS)(H)	C(C[5]C[5,5]O[5]H)(SC[6])(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHS)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5,5]O[5]H)(SC[6])(H)2	H(C[5]C[5,5]O[5]C)	108.7840	0.566	2	108.7840	0.320	2	108.7840	0.320	2	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6,6]O[5]H)(CC)(H)2	H(C[5]C[5,6,6]O[5]C)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6,6]O[5]H)(CC)(H)2	H(C[5]C[5,6,6]O[5]C)	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CC)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CC)(H)2	H(C[5]C[5,6]O[5]C)	107.4940	0.000	1	108.2990	1.296	2	108.2990	1.296	2	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CC)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CC)(H)2	H(C[5]C[5,6]O[5]C)	109.1040	0.000	1	108.2990	1.296	2	108.2990	1.296	2	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OC)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]H)(OC)(H)2	H(C[5]C[5,6]O[5]C)	105.8920	0.000	1	105.8920	0.000	1	109.0678	4.297	9	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OC)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]H)(OC)(H)2	H(C[5]C[5,6]O[5]C)	108.1300	0.000	1	108.1300	0.000	1	109.0678	4.297	9	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OH)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6]O[5]H)(OH)(H)2	H(C[5]C[5,6]O[5]C)	113.3810	0.000	1	113.3810	0.000	1	109.0678	4.297	9	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OC)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5,6]O[5]H)(OC)(H)2	H(C[5]C[5,6]O[5]C)	109.6550	0.000	1	109.6550	0.000	1	109.0678	4.297	9	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OC)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|C<3>,1|N<3>,4|H<1>}	C(C[5]C[5,6]O[5]H)(OC)(H)2	H(C[5]C[5,6]O[5]C)	108.3440	0.000	1	107.9340	0.336	2	109.0678	4.297	9	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OC)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|S<4>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(OC)(H)2	H(C[5]C[5,6]O[5]C)	107.5240	0.000	1	107.9340	0.336	2	109.0678	4.297	9	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OH)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C(C[5]C[5,6]O[5]H)(OH)(H)2	H(C[5]C[5,6]O[5]C)	109.4340	0.000	1	109.2125	0.098	2	109.0678	4.297	9	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OH)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|N<3>,2|O<1>}	C(C[5]C[5,6]O[5]H)(OH)(H)2	H(C[5]C[5,6]O[5]C)	108.9910	0.000	1	109.2125	0.098	2	109.0678	4.297	9	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OSi)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,6]O[5]H)(OSi)(H)2	H(C[5]C[5,6]O[5]C)	110.2590	0.000	1	110.2590	0.000	1	109.0678	4.297	9	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CHHO)(H){3|C<3>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.8450	0.000	1	109.8450	0.000	1	109.6514	0.369	5	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H){1|C<3>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.4817	0.792	3	109.6030	0.477	4	109.6514	0.369	5	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H){1|C<4>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.9670	0.000	1	109.6030	0.477	4	109.6514	0.369	5	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C(C[5]C[5]O[5]H)(CC)(Br)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CC)(Br)(H)	H(C[5]C[5]O[5]C)	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5]O[5]H)(CN)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(CN)(H)2	H(C[5]C[5]O[5]C)	109.5310	0.000	1	109.5310	0.000	1	109.0329	0.972	8	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CN)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CN)(H)2	H(C[5]C[5]O[5]C)	107.6810	0.000	1	107.6810	0.000	1	109.0329	0.972	8	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CN)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CN)(H)2	H(C[5]C[5]O[5]C)	109.2840	0.000	1	109.2840	0.000	1	109.0329	0.972	8	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CH)(H)2	H(C[5]C[5]O[5]C)	107.5650	0.000	1	107.5650	0.000	1	109.0329	0.972	8	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CC)(H)2	H(C[5]C[5]O[5]C)	109.5505	0.693	4	109.5505	0.480	4	109.0329	0.972	8	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NN)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(NN)(H)2	H(C[5]C[5]O[5]C)	109.0580	0.000	1	109.0580	0.000	1	109.2806	1.551	12	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NN)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(NN)(H)2	H(C[5]C[5]O[5]C)	111.6120	0.000	1	108.9786	2.461	7	109.2806	1.551	12	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NN)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]H)(NN)(H)2	H(C[5]C[5]O[5]C)	108.7157	1.314	4	108.9786	2.461	7	109.2806	1.551	12	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NN)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(NN)(H)2	H(C[5]C[5]O[5]C)	108.1875	1.059	2	108.9786	2.461	7	109.2806	1.551	12	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHN)(H)	C(C[5]C[5]O[5]H)(NC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(NC)(H)2	H(C[5]C[5]O[5]C)	109.8570	0.231	2	109.8570	0.053	2	109.2806	1.551	12	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(NC)(H)2	H(C[5]C[5]O[5]C)	109.8725	0.442	2	109.8725	0.195	2	109.2806	1.551	12	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	110.0850	0.000	1	110.0850	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	108.7090	0.000	1	108.7090	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	108.5700	0.000	1	108.5700	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	108.9320	0.000	1	108.9320	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.2350	0.132	2	109.2350	0.017	2	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	109.1125	0.176	2	109.1125	0.031	2	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.1250	0.000	1	109.1250	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.0200	0.000	1	108.8451	0.564	9	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	108.8233	0.800	8	108.8451	0.564	9	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	106.1765	2.969	2	108.0544	3.288	7	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.2150	0.000	1	108.0544	3.288	7	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.4850	0.000	1	108.0544	3.288	7	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<2>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.1630	0.000	1	108.0544	3.288	7	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.5825	0.032	2	108.0544	3.288	7	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	109.9900	0.008	2	109.8622	0.108	4	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	109.7345	0.508	2	109.8622	0.108	4	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|H<1>,3|C<4>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.1600	0.000	1	106.3795	6.340	2	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|O<2>,1|S<4>,2|C<4>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	104.5990	0.000	1	106.3795	6.340	2	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.7630	0.000	1	108.7630	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.5130	0.000	1	109.5130	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.6540	0.000	1	109.6540	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.1760	0.000	1	109.1760	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	108.3560	0.000	1	108.6347	0.726	3	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	108.7740	1.155	2	108.6347	0.726	3	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]O[5]H)(OC[5])(H)2	H(C[5]C[5]O[5]C)	108.7150	0.000	1	108.7150	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.2100	0.000	1	109.2795	0.010	2	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<4>,1|O<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.3490	0.000	1	109.2795	0.010	2	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H){1|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.6945	1.220	2	109.6945	1.488	2	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<3>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.4120	0.000	1	108.4120	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	111.1000	0.000	1	111.1000	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.0800	1.646	3	108.4329	0.845	9	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.6093	0.396	6	108.4329	0.845	9	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|H<1>,3|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	111.7190	0.000	1	108.1035	26.144	2	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	104.4880	0.000	1	108.1035	26.144	2	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	108.9850	0.000	1	108.9850	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	108.4715	0.144	2	108.4715	0.021	2	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.5930	0.000	1	109.2926	0.459	5	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|S<4>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.5495	1.128	2	109.2926	0.459	5	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	108.9520	0.000	1	109.2926	0.459	5	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	108.8190	0.000	1	109.2926	0.459	5	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<2>,3|H<1>}	C(C[5]C[5]O[5]H)(OC[6a])(H)2	H(C[5]C[5]O[5]C)	109.7800	0.000	1	109.7800	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.7080	0.000	1	108.7791	5.300	9	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<2>,2|C<4>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.4820	0.000	1	108.7791	5.300	9	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	107.8767	4.365	3	108.7791	5.300	9	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.0480	0.256	4	108.7791	5.300	9	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	109.5490	0.000	1	109.5490	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	108.8210	0.000	1	108.8210	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.8790	0.000	1	109.8790	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(OC[5])(H)2	H(C[5]C[5]O[5]C)	110.5660	0.000	1	110.5660	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|C<3>}	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	108.2210	0.000	1	108.7023	0.222	3	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	108.9430	0.310	2	108.7023	0.222	3	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.8810	0.000	1	109.8810	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.6390	0.000	1	109.6390	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	106.5850	0.000	1	106.5850	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.2963	0.532	4	108.2963	0.283	4	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.6255	0.098	2	109.6255	0.010	2	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.3390	0.000	1	109.3390	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	105.7280	3.987	2	108.5503	2.604	40	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	110.2710	0.000	1	108.5503	2.604	40	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.0535	0.033	2	108.5503	2.604	40	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.2325	0.446	2	108.5503	2.604	40	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	108.9490	0.000	1	108.5503	2.604	40	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	108.4810	0.000	1	108.5503	2.604	40	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	108.6908	0.690	11	108.5503	2.604	40	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	108.9194	0.865	13	108.5503	2.604	40	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	108.6440	0.000	1	108.5503	2.604	40	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	108.8830	0.038	2	108.5503	2.604	40	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Se<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.6300	0.000	1	108.5503	2.604	40	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	106.2303	3.981	3	108.5503	2.604	40	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|F<1>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.7770	0.049	2	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.4790	0.000	1	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.2270	0.000	1	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	110.0850	0.000	1	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	111.0100	0.000	1	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.2065	1.330	26	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.5924	0.725	11	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.1370	0.000	1	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	110.7660	0.000	1	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.9700	0.300	3	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.6974	0.539	8	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	110.1400	2.341	2	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.9130	0.000	1	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.4356	0.306	5	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.4580	0.383	11	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.3670	0.000	1	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.9000	0.000	1	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.1870	0.000	1	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.5112	1.849	57	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.0701	0.734	116	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.7695	0.507	2	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.9332	1.147	6	108.9803	1.372	259	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OP)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]H)(OP)(H)2	H(C[5]C[5]O[5]C)	109.9290	0.000	1	108.3507	1.590	14	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OP)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5]H)(OP)(H)2	H(C[5]C[5]O[5]C)	108.4120	0.000	1	108.3507	1.590	14	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OP)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OP)(H)2	H(C[5]C[5]O[5]C)	107.7006	1.494	7	108.3507	1.590	14	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OP)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OP)(H)2	H(C[5]C[5]O[5]C)	108.9330	0.177	5	108.3507	1.590	14	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OP[6])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OP[6])(H)2	H(C[5]C[5]O[5]C)	109.0780	0.000	1	109.0780	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	106.4100	0.000	1	108.0558	0.890	5	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	108.4740	0.000	1	108.0558	0.890	5	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	108.3090	0.170	2	108.0558	0.890	5	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	108.7770	0.000	1	108.0558	0.890	5	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	109.5830	0.546	2	109.0627	0.258	13	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Cl<1>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	108.4570	0.000	1	109.0627	0.258	13	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	109.5690	0.000	1	109.0627	0.258	13	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OSi)(H)2	H(C[5]C[5]O[5]C)	108.9581	0.439	9	109.0627	0.258	13	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	108.9840	0.000	1	108.9840	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	109.3920	0.000	1	109.3920	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	109.8020	0.000	1	109.8020	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H){3|C<3>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	109.4525	0.199	2	109.4525	0.039	2	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	106.1940	0.000	1	108.6180	4.616	3	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	110.2870	0.000	1	108.6180	4.616	3	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<2>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.3730	0.000	1	108.6180	4.616	3	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[5a])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(OC[5a])(H)2	H(C[5]C[5]O[5]C)	108.7203	0.414	3	108.7203	0.171	3	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OC[6a])(H)2	H(C[5]C[5]O[5]C)	110.5958	0.358	5	110.5958	0.128	5	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	112.7310	0.000	1	112.7310	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OC[6a])(H)2	H(C[5]C[5]O[5]C)	110.5307	0.359	4	110.5307	0.129	4	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.9930	0.000	1	109.9930	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OH)(H)2	H(C[5]C[5]O[5]C)	107.6604	3.294	7	107.6604	10.847	7	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	109.3180	0.000	1	109.3180	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.8807	0.400	3	109.8807	0.160	3	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|O<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	H(C[5]C[5]O[5]C)	109.8650	0.000	1	109.8650	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(OC[6a])(H)2	H(C[5]C[5]O[5]C)	110.3631	0.294	7	110.4281	0.114	14	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OC[6a])(H)2	H(C[5]C[5]O[5]C)	110.4931	0.388	7	110.4281	0.114	14	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OS)(H)2	H(C[5]C[5]O[5]C)	110.3550	0.000	1	110.3550	0.000	1	108.9689	1.758	472	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(SC)(H)2	H(C[5]C[5]O[5]C)	109.7400	0.000	1	109.4495	0.169	2	109.6116	1.014	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(SC)(H)2	H(C[5]C[5]O[5]C)	109.1590	0.000	1	109.4495	0.169	2	109.6116	1.014	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(O[5]C[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HS)(O[5]C[5])(CHHS)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(SH)(H)2	H(C[5]C[5]O[5]C)	107.8070	0.000	1	107.8070	0.000	1	109.6116	1.014	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SC[6a])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHS)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(SC[6a])(H)2	H(C[5]C[5]O[5]C)	110.6620	0.092	2	110.6620	0.008	2	109.6116	1.014	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CHHS)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(SC)(H)2	H(C[5]C[5]O[5]C)	109.1820	0.000	1	109.1820	0.000	1	109.6116	1.014	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHS)(H){1|O<1>}	C(C[5]C[5]O[5]H)(SC)(H)2	H(C[5]C[5]O[5]C)	110.0690	0.000	1	110.0690	0.000	1	109.6116	1.014	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(S[5]C[5])(CHHO)(H)	C(C[5]C[5]S[5]H)(OH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]CO)(S[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]S[5]H)(OH)(H)2	H(C[5]C[5]S[5]C)	108.6690	0.000	1	108.6690	0.000	1	109.0444	8.647	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H)	C(C[5]C[5]S[5]H)(OC)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]S[5]H)(OC)(H)2	H(C[5]C[5]S[5]C)	112.4860	0.000	1	107.9515	41.123	2	109.0444	8.647	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H)	C(C[5]C[5]S[5]H)(OC)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]S[5]H)(OC)(H)2	H(C[5]C[5]S[5]C)	103.4170	0.000	1	107.9515	41.123	2	109.0444	8.647	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H)	C(C[5]C[5]S[5]H)(OC)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]S[5]H)(OC)(H)2	H(C[5]C[5]S[5]C)	108.2070	0.000	1	108.2070	0.000	1	109.0444	8.647	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H)	C(C[5]C[5]S[5]H)(OH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]S[5]H)(OH)(H)2	H(C[5]C[5]S[5]C)	111.7220	0.000	1	111.7220	0.000	1	109.0444	8.647	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(CHHO)(H)	C(C[5]C[5]S[5]H)(OH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]HH)(S[5]C[5])(CHHO)(H){1|N<2>,1|S<4>}	C(C[5]C[5]S[5]H)(OH)(H)2	H(C[5]C[5]S[5]C)	109.6240	0.000	1	109.6240	0.000	1	109.0444	8.647	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(CHHO)(H)	C(C[5]C[5]S[5]H)(OC[6a])(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]S[5]HH)(S[5]C[5])(CHHO)(H){1|S<1>}	C(C[5]C[5]S[5]H)(OC[6a])(H)2	H(C[5]C[5]S[5]C)	109.1860	0.000	1	109.1860	0.000	1	109.0444	8.647	7	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	C(C[5]Se[5]C[5]H)(OC[6a])(H)2	H(C[5]Se[5]C[5]C)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]Se[5]C[5]H)(OC[6a])(H)2	H(C[5]Se[5]C[5]C)	108.9197	0.382	20	108.9197	0.146	20	108.9801	0.149	25	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	C(C[5]Se[5]C[5]H)(OH)(H)2	H(C[5]Se[5]C[5]C)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C(C[5]Se[5]C[5]H)(OH)(H)2	H(C[5]Se[5]C[5]C)	109.4187	0.196	3	109.2216	0.106	5	108.9801	0.149	25	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	C(C[5]Se[5]C[5]H)(OH)(H)2	H(C[5]Se[5]C[5]C)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	C(C[5]Se[5]C[5]H)(OH)(H)2	H(C[5]Se[5]C[5]C)	109.0930	0.000	1	109.2216	0.106	5	108.9801	0.149	25	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	C(C[5]Se[5]C[5]H)(OH)(H)2	H(C[5]Se[5]C[5]C)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]Se[5]C[5]H)(OH)(H)2	H(C[5]Se[5]C[5]C)	108.7590	0.000	1	109.2216	0.106	5	108.9801	0.149	25	108.9781	1.667	598	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CC)(OH)(H)	H(C[5]C[5]O[5]C)	109.4055	0.168	2	109.4055	0.028	2	109.4055	0.028	2	109.4055	0.028	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	H(C[5]C[5,5]O[5]C)	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	108.8595	0.373	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	H(C[5]C[5]O[5]C)	108.4557	0.559	3	108.4557	0.313	3	108.4557	0.313	3	108.8595	0.373	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Se-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CSeCH)(H)	C(C[5]C[5]O[5]H)(SeC[6a])(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CSeCH)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(SeC[6a])(CCHH)(H)	H(C[5]C[5]O[5]C)	109.4675	0.091	2	109.4675	0.008	2	109.4675	0.008	2	108.8595	0.373	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[3,5]O[5]H)(CCC)(H)2	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[3,5]O[5]H)(CCC)(H)2	H(C[5]C[3,5]O[5]C)	109.8250	0.000	1	109.8250	0.000	1	109.8250	0.000	1	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CN[5]HH)(H)	C(C[5]C[3,5]O[5]H)(N[5]C[5]2)(H)2	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CN[5]HH)(H){1|S<2>,2|H<1>}	C(C[5]C[3,5]O[5]H)(N[5]C[5]2)(H)2	H(C[5]C[3,5]O[5]C)	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[3x5,6]-4:S[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(CHHN)(H)	C(C[5]C[3x5,6]S[5]H)(NOO)(H)2	H(C[5]C[3x5,6]S[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(CHHN)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[3x5,6]S[5]H)(NOO)(H)2	H(C[5]C[3x5,6]S[5]C)	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5,6]O[5]H)(CCH)(H)2	H(C[5]C[5,5,6]O[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CCHH)(H){3|H<1>,4|C<4>}	C(C[5]C[5,5,6]O[5]H)(CCH)(H)2	H(C[5]C[5,5,6]O[5]C)	108.5790	0.000	1	108.5790	0.000	1	108.5790	0.000	1	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(COO)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[5]C[5,5]O[5]H)(COO)(H)2	H(C[5]C[5,5]O[5]C)	107.9130	0.150	2	107.9130	0.022	2	109.7334	4.931	5	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CCO)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,5]O[5]H)(CCO)(H)2	H(C[5]C[5,5]O[5]C)	108.7340	0.000	1	108.7340	0.000	1	109.7334	4.931	5	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CN[6]S)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]H)(CN[6]S)(H)2	H(C[5]C[5,5]O[5]C)	112.0535	1.145	2	112.0535	1.311	2	109.7334	4.931	5	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]HH)(H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]HH)(H){1|C<4>,1|O<2>,3|C<3>}	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]O[5]C)	107.4970	0.000	1	107.4970	0.000	1	107.4970	0.000	1	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	H(C[5]C[5,5]O[5]C)	109.8960	0.000	1	109.5690	0.214	2	109.5690	0.214	2	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	H(C[5]C[5,5]O[5]C)	109.2420	0.000	1	109.5690	0.214	2	109.5690	0.214	2	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H)	C(C[5]C[5,5]O[5]H)(N[6]C[6]2)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5,5]O[5]H)(N[6]C[6]2)(H)2	H(C[5]C[5,5]O[5]C)	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCO)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CCO)(H)2	H(C[5]C[5,6]O[5]C)	108.4560	0.000	1	108.4560	0.000	1	108.9926	0.780	16	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCC)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]O[5]H)(CCC)(H)2	H(C[5]C[5,6]O[5]C)	110.7540	0.911	2	109.0181	1.159	9	108.9926	0.780	16	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCC)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCC)(H)2	H(C[5]C[5,6]O[5]C)	108.6503	0.494	3	109.0181	1.159	9	108.9926	0.780	16	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCC)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6]O[5]H)(CCC)(H)2	H(C[5]C[5,6]O[5]C)	108.2490	0.000	1	109.0181	1.159	9	108.9926	0.780	16	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCC)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCC)(H)2	H(C[5]C[5,6]O[5]C)	108.4850	0.198	3	109.0181	1.159	9	108.9926	0.780	16	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCH)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCH)(H)2	H(C[5]C[5,6]O[5]C)	109.4745	1.108	2	109.0725	0.699	4	108.9926	0.780	16	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCH)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CCH)(H)2	H(C[5]C[5,6]O[5]C)	108.3370	0.000	1	109.0725	0.699	4	108.9926	0.780	16	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCH)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]H)(CCH)(H)2	H(C[5]C[5,6]O[5]C)	109.0040	0.000	1	109.0725	0.699	4	108.9926	0.780	16	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCO)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCO)(H)2	H(C[5]C[5,6]O[5]C)	109.0470	0.000	1	108.9865	0.007	2	108.9926	0.780	16	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCO)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]O[5]H)(CCO)(H)2	H(C[5]C[5,6]O[5]C)	108.9260	0.000	1	108.9865	0.007	2	108.9926	0.780	16	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHN)(H)	C(C[5]C[5,6]O[5]H)(NCH)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,6]O[5]H)(NCH)(H)2	H(C[5]C[5,6]O[5]C)	109.9716	0.269	8	109.9716	0.072	8	109.9716	0.072	8	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCHH)(H)	C(C[5]C[5]N[5]H)(CCC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CCC)(H)2	H(C[5]C[5]N[5]C)	108.1550	0.365	2	108.1550	0.133	2	108.1550	0.133	2	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CC[6a]HH)(H){1|C<2>,1|C<4>,1|N<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.2850	0.000	1	109.2850	0.000	1	109.1495	0.037	2	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CC[6a]HH)(H){1|C<2>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.0140	0.000	1	109.0140	0.000	1	109.1495	0.037	2	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:Br-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CBrCH)(H)	C(C[5]C[5]O[5]H)(COS)(Br)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CBrCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(COS)(Br)(H)	H(C[5]C[5]O[5]C)	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:F-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H)	C(C[5]C[5]O[5]H)(COO)(F)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(COO)(F)(H)	H(C[5]C[5]O[5]C)	108.7250	0.000	1	108.7250	0.000	1	109.5187	0.518	3	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:F-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H)	C(C[5]C[5]O[5]H)(CCH)(F)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CCH)(F)(H)	H(C[5]C[5]O[5]C)	109.9155	0.302	2	109.9155	0.091	2	109.5187	0.518	3	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5]O[5]H)(COO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(COO)(H)2	H(C[5]C[5]O[5]C)	105.5990	0.000	1	105.5990	0.000	1	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]O)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CC[6a]O)(H)2	H(C[5]C[5]O[5]C)	108.6150	0.000	1	108.6150	0.000	1	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CCC)(H)2	H(C[5]C[5]O[5]C)	109.4290	0.000	1	108.8850	0.592	2	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCC)(H)2	H(C[5]C[5]O[5]C)	108.3410	0.000	1	108.8850	0.592	2	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	109.2980	0.000	1	109.1340	0.054	2	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|S<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	108.9700	0.000	1	109.1340	0.054	2	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(COO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){4|H<1>}	C(C[5]C[5]O[5]H)(COO)(H)2	H(C[5]C[5]O[5]C)	109.9740	0.000	1	109.9740	0.000	1	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){4|H<1>}	C(C[5]C[5]O[5]H)(CCC)(H)2	H(C[5]C[5]O[5]C)	109.1980	0.000	1	109.1980	0.000	1	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCO)(H)2	H(C[5]C[5]O[5]C)	108.4348	1.690	4	108.4348	2.857	4	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CNO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){4|H<1>}	C(C[5]C[5]O[5]H)(CNO)(H)2	H(C[5]C[5]O[5]C)	109.1750	0.000	1	109.1750	0.000	1	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCO)(H)2	H(C[5]C[5]O[5]C)	109.1170	0.000	1	109.1170	0.000	1	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<2>,3|H<1>}	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	108.4560	0.000	1	108.9324	0.409	7	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	109.0118	0.662	6	108.9324	0.409	7	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5]O[5]H)(COO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]O[5]H)(COO)(H)2	H(C[5]C[5]O[5]C)	109.7190	0.156	2	109.7190	0.024	2	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	114.0860	0.000	1	114.0860	0.000	1	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCH)(H)2	H(C[5]C[5]O[5]C)	109.1612	0.920	5	109.1612	0.846	5	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCN)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|H<1>}	C(C[5]C[5]O[5]H)(CCN)(H)2	H(C[5]C[5]O[5]C)	110.0970	0.000	1	110.0970	0.000	1	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCO)(H)2	H(C[5]C[5]O[5]C)	109.9640	0.000	1	109.9640	0.000	1	109.1411	1.925	31	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]N[5])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]N[5])(CC[5]HH)(H){1|C<3>}	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	H(C[5]C[5]O[5]C)	108.2130	0.000	1	108.2130	0.000	1	108.2130	0.000	1	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]HH)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]HH)(H){2|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	109.2700	0.000	1	109.2700	0.000	1	109.2700	0.000	1	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CN)(O[5]C[5,5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]CN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(NCC)(H)2	H(C[5]C[5]O[5]C)	108.1370	0.000	1	108.1370	0.000	1	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NOsC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(NOsC)(H)2	H(C[5]C[5]O[5]C)	107.6960	0.000	1	107.6960	0.000	1	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NRuC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(NRuC)(H)2	H(C[5]C[5]O[5]C)	106.9360	0.000	1	106.9360	0.000	1	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(NCC)(H)2	H(C[5]C[5]O[5]C)	109.0630	0.000	1	109.0630	0.000	1	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	C(C[5]C[5]O[5]H)(NCC)(H)2	H(C[5]C[5]O[5]C)	109.9280	0.000	2	109.9280	0.000	2	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(NCH)(H)2	H(C[5]C[5]O[5]C)	108.0189	0.430	9	108.2853	0.528	11	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	C(C[5]C[5]O[5]H)(NCH)(H)2	H(C[5]C[5]O[5]C)	109.4840	0.535	2	108.2853	0.528	11	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NRuC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	C(C[5]C[5]O[5]H)(NRuC)(H)2	H(C[5]C[5]O[5]C)	109.2400	0.000	1	109.2400	0.000	1	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHN)(H){1|H<1>,2|C<3>}	C(C[5]C[5]O[5]H)(NCC)(H)2	H(C[5]C[5]O[5]C)	109.3070	0.000	1	109.3070	0.000	1	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(NCH)(H)2	H(C[5]C[5]O[5]C)	110.6095	0.292	2	108.9848	3.182	6	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]H)(NCH)(H)2	H(C[5]C[5]O[5]C)	108.0387	1.961	3	108.9848	3.182	6	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(NCH)(H)2	H(C[5]C[5]O[5]C)	108.5740	0.000	1	108.9848	3.182	6	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NReC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(NReC)(H)2	H(C[5]C[5]O[5]C)	110.0990	0.000	1	110.0990	0.000	1	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]B[5,5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]B[5,5])(CHHN)(H){2|C<4>,2|O<2>}	C(C[5]C[5]O[5]H)(NCC)(H)2	H(C[5]C[5]O[5]C)	109.6400	0.000	1	109.6400	0.000	1	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(NCH)(H)2	H(C[5]C[5]O[5]C)	109.8781	0.334	9	109.8781	0.111	9	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCuC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|Cu<6>,1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(NCuC)(H)2	H(C[5]C[5]O[5]C)	109.5970	0.000	1	109.5970	0.000	1	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NNiC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|Ni<6>,1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(NNiC)(H)2	H(C[5]C[5]O[5]C)	109.3700	0.000	1	109.3700	0.000	1	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]C[5])(CHHN)(H){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(NCH)(H)2	H(C[5]C[5]O[5]C)	109.3670	0.000	1	109.3670	0.000	1	109.0323	1.195	39	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(O[5]C[5])(CN[5]HH)(H)	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HS)(O[5]C[5])(CN[5]HH)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	H(C[5]C[5]O[5]C)	108.8900	0.000	1	108.8900	0.000	1	109.3005	0.229	6	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CN[5]HH)(H)	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CN[5]HH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	H(C[5]C[5]O[5]C)	110.1420	0.000	1	110.1420	0.000	1	109.3005	0.229	6	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H)	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	H(C[5]C[5]O[5]C)	109.1927	0.271	4	109.1927	0.073	4	109.3005	0.229	6	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H){4|H<1>}	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	H(C[5]C[5]O[5]C)	109.7150	0.000	1	109.7150	0.000	1	109.0858	0.467	5	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H)	C(C[5]C[5]O[5]H)(N[6]C[5a,6]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(N[6]C[5a,6]2)(H)2	H(C[5]C[5]O[5]C)	108.4770	0.000	1	108.4770	0.000	1	109.0858	0.467	5	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H){1|N<2>,1|O<1>}	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	H(C[5]C[5]O[5]C)	109.4990	0.208	2	109.4990	0.043	2	109.0858	0.467	5	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H){2|C<3>}	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	H(C[5]C[5]O[5]C)	108.2390	0.000	1	108.2390	0.000	1	109.0858	0.467	5	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H)	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OPtH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OPtH)(H)2	H(C[5]C[5]O[5]C)	108.3690	0.000	1	108.3690	0.000	1	108.9573	0.169	4	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OCoC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,1|O<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OCoC)(H)2	H(C[5]C[5]O[5]C)	109.0030	0.000	1	109.0030	0.000	1	108.9573	0.169	4	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(ONiH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(ONiH)(H)2	H(C[5]C[5]O[5]C)	109.2285	0.108	2	109.2285	0.012	2	108.9573	0.169	4	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SC[6a]O)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(SC[6a]O)(H)2	H(C[5]C[5]O[5]C)	109.6900	0.083	2	109.6900	0.007	2	109.6900	0.007	2	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(CCHH)(H)	C(C[5]C[5]S[5]H)(COO)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]CH)(S[5]C[5])(CCHH)(H){1|C<3>,3|H<1>}	C(C[5]C[5]S[5]H)(COO)(H)2	H(C[5]C[5]S[5]C)	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(CHHN)(H)	C(C[5]C[5]S[5]H)(NCC)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]S[5]HH)(S[5]C[5])(CHHN)(H){1|C<3>}	C(C[5]C[5]S[5]H)(NCC)(H)2	H(C[5]C[5]S[5]C)	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	109.1747	1.185	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,5]O[5]H)(CNO)(OH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]H)(CNO)(OH)(H)	H(C[5]C[5,5]O[5]C)	106.7410	0.000	1	106.7410	0.000	1	106.7410	0.000	1	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:C-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCC)(CC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCC)(CC)(H)	H(C[5]C[5]O[5]C)	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	H(C[5]C[5]O[5]C)	108.8380	0.000	1	108.8380	0.000	1	108.8490	0.623	24	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	H(C[5]C[5]O[5]C)	108.2580	0.000	1	108.2580	0.000	1	108.8490	0.623	24	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[6a]O)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]O)(OH)(H)	H(C[5]C[5]O[5]C)	109.1268	0.231	6	109.1268	0.054	6	108.8490	0.623	24	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CN[5]O)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CN[5]O)(OH)(H)	H(C[5]C[5]O[5]C)	109.3550	0.000	1	109.3550	0.000	1	108.8490	0.623	24	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(COO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(COO)(OH)(H)	H(C[5]C[5]O[5]C)	109.3120	0.157	3	109.3120	0.025	3	108.8490	0.623	24	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCH)(OC)(H)	H(C[5]C[5]O[5]C)	109.1250	0.000	1	109.1250	0.000	1	108.8490	0.623	24	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(COO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(COO)(OH)(H)	H(C[5]C[5]O[5]C)	109.5567	0.373	3	109.5567	0.139	3	108.8490	0.623	24	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	H(C[5]C[5]O[5]C)	107.6592	0.501	5	107.6592	0.251	5	108.8490	0.623	24	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	H(C[5]C[5]O[5]C)	107.9120	0.000	1	107.9120	0.000	1	108.8490	0.623	24	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCO)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCO)(OC)(H)	H(C[5]C[5]O[5]C)	109.2140	0.000	1	109.2140	0.000	1	108.8490	0.623	24	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>}	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	H(C[5]C[5]O[5]C)	110.0100	0.000	1	110.0100	0.000	1	108.8490	0.623	24	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]O[5]C)	108.8910	0.003	2	108.8910	0.000	2	108.9370	0.070	4	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	108.9830	0.450	2	108.9830	0.202	2	108.9370	0.070	4	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:C-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(NCO)(CC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(NCO)(CC)(H)	H(C[5]C[5]O[5]C)	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	108.8540	0.695	31	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:2:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCOO)(H)	C(C[5]C[5]O[5]H)(COO)(OH)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCOO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(COO)(OH)2	H(C[5]C[5]O[5]C)	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCO)2(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CCCH)(H){4|C<3>}	C(C[5]C[5]O[5]H)(CCO)2(H)	H(C[5]C[5]O[5]C)	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	109.2150	1.108	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:N-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCH)(NHS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCH)(NHS)(H)	H(C[5]C[5]O[5]C)	109.3050	1.189	3	109.3050	1.413	3	109.3050	1.413	3	109.2150	1.108	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:N-3:F-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CFNN)(H)	C(C[5]C[5]O[5]H)(NOO)2(F)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CFNN)(H){1|H<1>,1|O<2>}	C(C[5]C[5]O[5]H)(NOO)2(F)	H(C[5]C[5]O[5]C)	108.2040	0.045	2	108.2040	0.002	2	108.2040	0.002	2	109.2150	1.108	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:3:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(CN[5]2H)(H)	C(C[5]C[5]S[5]H)(N[5]C[5]2)2(H)	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HH)(S[5]C[5])(CN[5]2H)(H){4|H<1>}	C(C[5]C[5]S[5]H)(N[5]C[5]2)2(H)	H(C[5]C[5]S[5]C)	110.4190	0.000	1	110.4190	0.000	1	110.4190	0.000	1	109.2150	1.108	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:3:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,5])(CC[6a]2O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,5])(CC[6a]2O)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]O[5]C)	108.6190	0.499	14	108.6190	0.249	14	108.7146	0.950	47	108.7146	0.950	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:3:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CC[6a]2O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CC[6a]2O)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]O[5]C)	108.7552	1.122	33	108.7552	1.259	33	108.7146	0.950	47	108.7146	0.950	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:4:1:	4:	B[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:C-4:H-1:	C[5]-4:	C[5](B[5]C[6a]2O[5])(O[5]C[5])(CCCH)(H)	C(C[5]B[5]O[5]H)(CN[6]H)(CH3)(H)	H(C[5]B[5]O[5]C)	C[5](B[5]C[6a]2O[5])(O[5]C[5])(CCCH)(H){1|B<4>,4|C<3>}	C(C[5]B[5]O[5]H)(CN[6]H)(CH3)(H)	H(C[5]B[5]O[5]C)	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	108.6853	0.282	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]CH)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]CH)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCCH)(H)	H(C[5]C[5]O[5]C)	108.4730	0.000	1	108.4730	0.000	1	108.3830	0.016	2	108.6853	0.282	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]Si[5])(CC[6a]CH)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]Si[5])(CC[6a]CH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	H(C[5]C[5]O[5]C)	108.2930	0.000	1	108.2930	0.000	1	108.3830	0.016	2	108.6853	0.282	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	B[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](B[5,5]O[5]3)(O[5]C[5])(CCHH)(H)	C(C[5]B[5,5]O[5]H)(CC[6a]HH)(H)2	H(C[5]B[5,5]O[5]C)	C[5](B[5,5]O[5]3)(O[5]C[5])(CCHH)(H){1|N<3>,2|C<4>}	C(C[5]B[5,5]O[5]H)(CC[6a]HH)(H)2	H(C[5]B[5,5]O[5]C)	108.8630	0.247	2	108.8630	0.061	2	108.8630	0.061	2	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[3]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H)	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H){1|C<3>,1|O<1>}	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	H(C[5]C[3,5]O[5]C)	108.7820	0.000	1	108.9950	0.091	2	108.9950	0.091	2	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[3]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H)	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H){1|C<4>,1|O<1>}	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	H(C[5]C[3,5]O[5]C)	109.2080	0.000	1	108.9950	0.091	2	108.9950	0.091	2	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[5]HH)(H){1|C<4>,1|O<1>}	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	H(C[5]C[3,5]O[5]C)	110.6090	0.000	1	110.6090	0.000	1	110.6090	0.000	1	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[4,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H)	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	H(C[5]C[4,5,6]O[5]C)	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	H(C[5]C[4,5,6]O[5]C)	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	H(C[5]C[5,5]O[5]C)	109.7510	0.000	1	109.7510	0.000	1	108.7632	0.443	10	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CC[5]CH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[5]C[5,5]O[5]H)(CC[5]CH)(H)2	H(C[5]C[5,5]O[5]C)	108.8060	0.232	2	108.8060	0.054	2	108.7632	0.443	10	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	H(C[5]C[5,5]O[5]C)	108.5950	0.000	1	108.5950	0.000	1	108.7632	0.443	10	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5,5])(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	H(C[5]C[5,5]O[5]C)	107.5750	0.000	1	107.5750	0.000	1	108.7632	0.443	10	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	H(C[5]C[5,5]O[5]C)	108.7200	0.314	2	108.7200	0.099	2	108.7632	0.443	10	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CSnHH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(CSnHH)(H)2	H(C[5]C[5,5]O[5]C)	108.1980	0.000	1	108.1980	0.000	1	108.7632	0.443	10	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]3)(O[5]C[5])(CCHH)(H){1|O<1>,4|C<4>,4|H<1>}	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	H(C[5]C[5,5]O[5]C)	108.6590	0.000	1	108.6590	0.000	1	108.7632	0.443	10	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CC[5]HH)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]H)(CC[5]HH)(H)2	H(C[5]C[5,5]O[5]C)	109.8020	0.000	1	109.8020	0.000	1	108.7632	0.443	10	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,5]-4:S[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H)	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	H(C[5]C[5,5]S[5]C)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	H(C[5]C[5,5]S[5]C)	107.8905	0.477	6	107.9581	0.198	8	107.9581	0.198	8	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,5]-4:S[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H)	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	H(C[5]C[5,5]S[5]C)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H){1|C<3>,1|N<3>,4|H<1>}	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	H(C[5]C[5,5]S[5]C)	108.1610	0.372	2	107.9581	0.198	8	107.9581	0.198	8	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]C[6])(C[5]C[5,6]N[5]H)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])(CC[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5,6a]C[5]C[6])(C[5]C[5,6]N[5]H)(H)2	H(C[5]C[5,6]N[5]C)	108.7780	0.109	3	108.7780	0.012	3	108.7780	0.012	3	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(C[5]C[5,6]O[5]C)	108.8580	0.000	1	108.8580	0.000	1	108.1504	2.320	13	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[3,6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,5,6]C[3,6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|O<2>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(C[5]C[5,6]O[5]C)	108.4080	0.000	1	108.4080	0.000	1	108.1504	2.320	13	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|O<2>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(C[5]C[5,6]O[5]C)	107.7220	0.000	1	107.7220	0.000	1	108.1504	2.320	13	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(CCHH)(H){1|B<3>,1|C<4>,2|C<3>,5|H<1>}	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(H)2	H(C[5]C[5,6]O[5]C)	108.3720	0.000	1	108.3720	0.000	1	108.1504	2.320	13	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	H(C[5]C[5,6]O[5]C)	109.0210	0.000	1	109.0210	0.000	1	108.1504	2.320	13	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(C[5]C[5,6]O[5]C)	108.5840	0.000	1	108.5840	0.000	1	108.1504	2.320	13	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CC[5]CO)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CC[5]CO)(H)2	H(C[5]C[5,6]O[5]C)	106.9960	0.000	1	106.9960	0.000	1	108.1504	2.320	13	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(C[5]C[5,6]O[5]C)	106.8510	0.000	1	106.8510	0.000	1	108.1504	2.320	13	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(C[5]C[5,6]O[5]C)	104.0630	0.000	1	104.0630	0.000	1	108.1504	2.320	13	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H){2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(C[5]C[5,6]O[5]C)	109.5165	0.276	2	109.5165	0.076	2	108.1504	2.320	13	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CH3)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]O[5]H)(CH3)(H)2	H(C[5]C[5,6]O[5]C)	109.0235	1.018	2	109.0235	1.035	2	108.1504	2.320	13	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C[3]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[3]HH)(H)	C(C[5]C[5,6]O[5]H)(C[3]C[3]O[3]C)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[3]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]O[5]H)(C[3]C[3]O[3]C)(H)2	H(C[5]C[5,6]O[5]C)	107.6340	0.000	1	107.6340	0.000	1	107.6340	0.000	1	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5])(CCHH)(H)	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5])(CCHH)(H){1|C<1>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	115.7170	0.000	1	115.7170	0.000	1	115.7170	0.000	1	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CCHH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	109.2730	0.000	1	109.2730	0.000	1	109.2730	0.000	1	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CC[3]HH)(H){1|O<1>,2|C<4>}	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	108.4960	0.000	1	108.4960	0.000	1	108.7040	0.055	3	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]2H)(O[5]C[5])(CC[3]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	108.6590	0.000	1	108.6590	0.000	1	108.7040	0.055	3	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[3]HH)(H){1|C<3>,1|O<1>}	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	108.9570	0.000	1	108.9570	0.000	1	108.7040	0.055	3	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CBrCH)(H)	C(C[5]C[5]O[5]H)(CCHO)(Br)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CBrCH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CCHO)(Br)(H)	H(C[5]C[5]O[5]C)	108.3250	0.000	1	108.3250	0.000	1	108.6309	0.250	11	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C(C[5]C[5]O[5]H)(CC3)(Br)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CC3)(Br)(H)	H(C[5]C[5]O[5]C)	107.8530	0.000	1	107.8530	0.000	1	108.6309	0.250	11	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	H(C[5]C[5]O[5]C)	109.0883	0.606	3	108.7150	0.225	8	108.6309	0.250	11	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|Cl<1>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	H(C[5]C[5]O[5]C)	108.4910	0.208	5	108.7150	0.225	8	108.6309	0.250	11	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C(C[5]C[5]O[5]H)(CHHO)(Br)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|Br<1>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(Br)(H)	H(C[5]C[5]O[5]C)	109.0420	0.000	1	109.0420	0.000	1	108.6309	0.250	11	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CClCH)(H)	C(C[5]C[5]O[5]H)(CCHH)(Cl)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CClCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(Cl)(H)	H(C[5]C[5]O[5]C)	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:F-1:F-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCFF)(H)	C(C[5]C[5]O[5]H)(CBrFF)(F)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCFF)(H){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(CBrFF)(F)2	H(C[5]C[5]O[5]C)	110.1355	0.486	2	110.1355	0.236	2	110.1355	0.236	2	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(C[5]C[5]O[5]C)	109.0002	0.241	5	109.0002	0.058	5	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(C[5]C[5]O[5]C)	110.2110	0.000	1	110.2110	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHN)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CCHH)(H){1|C<4>,2|C<3>}	C(C[5]C[5]O[5]H)(CHHN)(H)2	H(C[5]C[5]O[5]C)	108.6960	0.000	1	108.6960	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]N[5])(CCHH)(H){3|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	109.5590	0.000	1	109.5590	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CH3)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CH3)(H)2	H(C[5]C[5]O[5]C)	108.4150	0.000	1	108.4150	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	109.1510	0.000	1	109.1510	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(CCHH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	109.2500	0.000	1	109.2500	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	108.8700	0.000	1	108.8700	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(C[5]C[5]O[5]C)	108.4920	0.000	1	108.4920	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(CCHH)(H){4|C<3>}	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]O[5]C)	108.3640	0.000	1	108.3640	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCFF)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CCFF)(H)2	H(C[5]C[5]O[5]C)	109.7000	0.000	1	109.7000	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	110.1370	0.000	1	109.6725	0.432	2	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H){1|N<3>,3|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	109.2080	0.000	1	109.6725	0.432	2	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]BrH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	109.4450	0.000	1	109.4450	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]O[5]C)	108.2110	0.000	1	108.2110	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	H(C[5]C[5]O[5]C)	107.6920	0.000	1	107.6920	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(C[5]C[5]O[5]C)	109.3600	0.000	1	109.3600	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CCCO)(H)2	H(C[5]C[5]O[5]C)	109.1820	0.000	1	109.1820	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	110.3200	2.126	2	109.9065	1.942	4	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	110.0510	0.000	1	109.9065	1.942	4	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	108.9350	0.000	1	109.9065	1.942	4	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	H(C[5]C[5]O[5]C)	108.6960	0.000	1	108.9363	0.168	7	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	H(C[5]C[5]O[5]C)	108.8946	0.430	5	108.9363	0.168	7	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	H(C[5]C[5]O[5]C)	109.3850	0.000	1	108.9363	0.168	7	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5,6]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5,6]CH)(H)2	H(C[5]C[5]O[5]C)	109.2535	0.197	6	109.2535	0.039	6	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(C[5]C[5]O[5]C)	109.3353	0.421	4	108.1332	3.056	11	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(C[5]C[5]O[5]C)	107.4463	1.868	7	108.1332	3.056	11	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]CO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]CO)(H)2	H(C[5]C[5]O[5]C)	108.1000	0.000	1	108.1000	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CH3)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|H<1>,1|N<2>,1|O<1>}	C(C[5]C[5]O[5]H)(CH3)(H)2	H(C[5]C[5]O[5]C)	104.2820	0.000	1	104.2820	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(CCHH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	109.2505	0.370	2	109.2505	0.137	2	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	108.9665	0.531	2	108.9665	0.282	2	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	108.6650	0.000	1	108.6650	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]ClH)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	107.8730	0.000	1	107.8730	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	107.5930	0.293	3	107.5930	0.086	3	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(C[5]C[5]O[5]C)	107.3625	0.080	2	107.3625	0.006	2	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHH)(H){1|C<3>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	109.2340	0.000	1	109.2340	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(CCCO)(H)2	H(C[5]C[5]O[5]C)	109.1550	0.197	8	109.1550	0.039	8	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	107.7190	0.000	1	110.1945	2.921	4	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	110.7100	0.124	2	110.1945	2.921	4	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	111.6390	0.000	1	110.1945	2.921	4	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	109.8572	0.186	4	109.8572	0.034	4	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(C[5]C[5]O[5]C)	109.8820	0.000	1	109.8820	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5a]HH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5a]HH)(H)2	H(C[5]C[5]O[5]C)	109.3270	0.175	2	109.3270	0.031	2	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(C[5]C[5]O[5]C)	110.5765	0.456	2	110.5765	0.208	2	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	108.4990	0.000	1	108.4990	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6]HO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(CC[6]HO)(H)2	H(C[5]C[5]O[5]C)	108.8340	0.577	2	108.8340	0.333	2	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CH3)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){4|H<1>}	C(C[5]C[5]O[5]H)(CH3)(H)2	H(C[5]C[5]O[5]C)	109.5190	0.000	1	109.5190	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(C[5]C[5]O[5]C)	108.9180	0.440	2	108.9180	0.193	2	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	107.9975	0.237	2	107.9975	0.056	2	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(C[5]C[5]O[5]C)	109.6790	0.000	1	109.6790	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHN)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHN)(H)2	H(C[5]C[5]O[5]C)	108.3000	0.000	1	108.3000	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	108.8180	0.000	1	108.8180	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HS)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(C[5]C[5]O[5]C)	110.1470	0.000	1	110.1470	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(C[5]C[5]O[5]C)	112.1800	0.000	1	112.1800	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(C[5]C[5]O[5]C)	109.5260	0.000	1	109.5260	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]O[5]C)	108.6240	0.000	1	108.6240	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	108.6530	0.000	1	108.6530	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC3)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<3>}	C(C[5]C[5]O[5]H)(CC3)(H)2	H(C[5]C[5]O[5]C)	109.1020	0.000	1	109.1020	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	107.8160	0.000	1	107.8160	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]O[5]C)	108.3560	0.000	1	108.3560	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CH3)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(CH3)(H)2	H(C[5]C[5]O[5]C)	97.8282	0.000	1	97.8282	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(CCHH)(H){2|C<3>,4|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(C[5]C[5]O[5]C)	108.9025	0.680	2	108.9025	0.462	2	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(C[5]C[5]O[5]C)	109.7540	0.000	1	109.7540	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CH3)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CH3)(H)2	H(C[5]C[5]O[5]C)	108.7650	0.000	1	108.7650	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]B[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]B[5])(CCHH)(H){1|C<4>}	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	H(C[5]C[5]O[5]C)	108.4800	0.840	8	108.4800	0.705	8	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	109.5730	0.000	1	109.4160	0.085	3	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	109.3375	0.366	2	109.4160	0.085	3	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]O[5]C)	109.1600	0.000	1	109.1600	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHS)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CHHS)(H)2	H(C[5]C[5]O[5]C)	110.4460	0.000	1	110.4460	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	H(C[5]C[5]O[5]C)	110.1850	0.000	1	110.1850	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CO)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CO)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(C[5]C[5]O[5]C)	109.7370	0.000	1	109.7370	0.000	1	108.8857	2.212	124	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHI)(H)	C(C[5]C[5]O[5]H)(CC3)(H)(I)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHI)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CC3)(H)(I)	H(C[5]C[5]O[5]C)	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)(O)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)(O)	H(C[5]C[5]O[5]C)	109.3550	0.000	1	109.3550	0.000	1	109.9725	0.763	2	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:O-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	C(C[5]C[5]O[5]H)(CBrCF)(H)(O)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CBrCF)(H)(O)	H(C[5]C[5]O[5]C)	110.5900	0.000	1	110.5900	0.000	1	109.9725	0.763	2	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H)	C(C[5]C[5]O[5]H)2(F)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H){2|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)2(F)2	H(C[5]C[5]O[5]C)	109.2490	0.000	1	109.2490	0.000	1	109.5480	0.179	2	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]FF)(H)	C(C[5]C[5]O[5]H)2(F)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]FF)(H){2|C<4>}	C(C[5]C[5]O[5]H)2(F)2	H(C[5]C[5]O[5]C)	109.8470	0.000	1	109.8470	0.000	1	109.5480	0.179	2	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2Ti)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(C[5]C[5]2Ti)(H)2	H(C[5]C[5]O[5]C)	110.1210	0.000	1	110.1210	0.000	1	109.1234	1.461	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2C)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]2C)(O[5]C[5])(CC[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	H(C[5]C[5]O[5]C)	108.5640	0.000	1	108.5640	0.000	1	109.1234	1.461	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[3,5]C[5]C)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H){1|O<1>,2|H<1>}	C(C[5]C[3,5]C[5]C)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	108.8780	0.000	1	108.8780	0.000	1	109.1234	1.461	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	H(C[5]C[5]O[5]C)	106.7500	0.000	1	106.7500	0.000	1	109.1234	1.461	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)2(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)2(H)2	H(C[5]C[5]O[5]C)	109.7280	0.000	1	109.7280	0.000	1	109.1234	1.461	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)2(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HH)(H){2|C<4>}	C(C[5]C[5]O[5]H)2(H)2	H(C[5]C[5]O[5]C)	109.6290	0.000	1	109.6290	0.000	1	109.1234	1.461	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	H(C[5]C[5]O[5]C)	110.1940	0.000	1	110.1940	0.000	1	109.1234	1.461	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SeH)(O[5]C[5])(CC[6]HH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]SeH)(O[5]C[5])(CC[6]HH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	H(C[5]C[5]O[5]C)	112.4390	0.000	1	112.4390	0.000	1	110.5559	4.599	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	H(C[5]C[5]O[5]C)	108.9600	1.731	3	108.9600	2.995	3	110.5559	4.599	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2S)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]2S)(H)2	H(C[5]C[5]O[5]C)	110.3980	0.000	2	110.3980	0.000	2	110.5559	4.599	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(H)2	H(C[5]C[5]O[5]C)	113.7760	0.000	1	113.7760	0.000	1	110.5559	4.599	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCuCC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(NCuCC)(H)2	H(C[5]C[5]O[5]C)	110.5380	0.000	1	110.5380	0.000	1	106.3571	100.028	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NC3)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(NC3)(H)2	H(C[5]C[5]O[5]C)	109.0090	0.000	1	112.6525	26.550	2	106.3571	100.028	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NC3)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5]O[5]H)(NC3)(H)2	H(C[5]C[5]O[5]C)	116.2960	0.000	1	112.6525	26.550	2	106.3571	100.028	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NFeCC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	C(C[5]C[5]O[5]H)(NFeCC)(H)2	H(C[5]C[5]O[5]C)	112.0745	3.389	2	112.0745	11.486	2	106.3571	100.028	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NPtHH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H){1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(NPtHH)(H)2	H(C[5]C[5]O[5]C)	92.2538	1.485	2	92.2538	2.205	2	106.3571	100.028	7	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[6]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H)	C(C[5]C[5]O[5]H)(N[6]C[6]2H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H){1|N<2>,1|O<1>}	C(C[5]C[5]O[5]H)(N[6]C[6]2H)(H)2	H(C[5]C[5]O[5]C)	108.9900	3.796	2	108.9900	14.408	2	108.9900	14.408	2	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:P-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHP)(H)	C(C[5]C[5]O[5]H)(PC[6a]2Cu)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHP)(H){2|C<4>}	C(C[5]C[5]O[5]H)(PC[6a]2Cu)(H)2	H(C[5]C[5]O[5]C)	109.7929	1.285	8	109.7929	1.650	8	109.7929	1.650	8	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SC[6a]OO)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHS)(H){1|C<3>}	C(C[5]C[5]O[5]H)(SC[6a]OO)(H)2	H(C[5]C[5]O[5]C)	109.7070	0.000	1	109.7070	0.000	1	109.7070	0.000	1	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]S[5])(CCHH)(H)	C(C[5]C[5]S[5]H)(CCHH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HH)(S[5]S[5])(CCHH)(H){2|H<1>}	C(C[5]C[5]S[5]H)(CCHH)(H)2	H(C[5]C[5]S[5]C)	108.4775	0.312	2	108.4775	0.097	2	107.9073	6.073	4	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(S[5]C[5])(CCHH)(H)	C(C[5]C[5]S[5]H)(CCCH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HN)(S[5]C[5])(CCHH)(H){1|O<2>,3|H<1>}	C(C[5]C[5]S[5]H)(CCCH)(H)2	H(C[5]C[5]S[5]C)	110.2370	0.000	1	110.2370	0.000	1	107.9073	6.073	4	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(CCHH)(H)	C(C[5]C[5]S[5]H)(CCHH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]CH)(S[5]C[5])(CCHH)(H){1|H<1>,1|S<1>}	C(C[5]C[5]S[5]H)(CCHH)(H)2	H(C[5]C[5]S[5]C)	104.4370	0.000	1	104.4370	0.000	1	107.9073	6.073	4	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:1:1:	4:	P[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5,6a]RhC)(O[5]C[5,6a])(CCHH)(H)	C(C[5]O[5]P[5]H)(CRhCH)(H)2	H(C[5]O[5]P[5]C)	C[5](P[5]C[5,6a]RhC)(O[5]C[5,6a])(CCHH)(H){2|C<3>}	C(C[5]O[5]P[5]H)(CRhCH)(H)2	H(C[5]O[5]P[5]C)	110.5410	0.491	2	110.5410	0.241	2	110.5410	0.241	2	108.8677	5.072	227	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H){1|N<3>,2|H<1>}	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[3,5]O[5]C)	109.4253	0.273	3	109.4253	0.075	3	109.4253	0.075	3	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	H(C[5]C[5,5]O[5]C)	108.5325	0.984	2	108.5325	0.967	2	108.7318	0.320	5	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	H(C[5]C[5,5]O[5]C)	109.1740	0.000	1	108.8755	0.178	2	108.7318	0.320	5	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	H(C[5]C[5,5]O[5]C)	108.5770	0.000	1	108.8755	0.178	2	108.7318	0.320	5	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5,5]O[5]C)	108.8430	0.000	1	108.8430	0.000	1	108.7318	0.320	5	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5,5]O[5]C)	110.4760	1.373	3	110.4760	1.885	3	110.4760	1.885	3	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H)	C(C[5]C[5,5]O[5]H)(C[6]C[6a]S[6]2)(OC)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(C[6]C[6a]S[6]2)(OC)(H)	H(C[5]C[5,5]O[5]C)	108.4860	0.000	1	108.4860	0.000	1	108.4860	0.000	1	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	H(C[5]C[5,6]O[5]C)	108.4660	0.000	1	108.4660	0.000	1	108.3055	0.052	2	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	H(C[5]C[5,6]O[5]C)	108.1450	0.000	1	108.1450	0.000	1	108.3055	0.052	2	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	H(C[5]C[5]O[5]C)	108.7770	0.000	1	108.7770	0.000	1	109.0729	0.280	9	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	H(C[5]C[5]O[5]C)	109.2446	0.445	5	109.2446	0.198	5	109.0729	0.280	9	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	H(C[5]C[5]O[5]C)	109.7260	0.000	1	109.7260	0.000	1	109.0729	0.280	9	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	H(C[5]C[5]O[5]C)	108.3170	0.000	1	108.3170	0.000	1	109.0729	0.280	9	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-2:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHN)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	H(C[5]C[5]O[5]C)	108.6130	0.000	1	108.6130	0.000	1	109.0729	0.280	9	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	110.0390	0.000	1	110.0390	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	H(C[5]C[5]O[5]C)	110.4165	0.470	2	110.4165	0.221	2	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	H(C[5]C[5]O[5]C)	109.3212	0.408	4	109.3212	0.166	4	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(C[5]C[5]O[5]C)	109.0400	0.424	2	109.4117	0.334	6	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(C[5]C[5]O[5]C)	109.1770	0.000	1	109.4117	0.334	6	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(C[5]C[5]O[5]C)	109.7377	0.647	3	109.4117	0.334	6	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	109.1260	0.000	1	109.1260	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	H(C[5]C[5]O[5]C)	110.3500	0.000	1	110.3500	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	H(C[5]C[5]O[5]C)	108.4200	0.000	1	108.4200	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	H(C[5]C[5]O[5]C)	109.5357	0.434	3	109.5357	0.189	3	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	109.0610	0.489	2	109.0610	0.239	2	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	109.5250	0.000	1	109.5250	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCHO)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	H(C[5]C[5]O[5]C)	108.5380	0.064	2	108.5380	0.004	2	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|N<3>,3|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	108.8430	0.000	1	108.8430	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H){1|H<1>,3|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	108.8830	0.000	1	108.8830	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	H(C[5]C[5]O[5]C)	108.3340	0.000	1	109.1006	0.390	15	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	H(C[5]C[5]O[5]C)	109.0866	0.634	12	109.1006	0.390	15	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	H(C[5]C[5]O[5]C)	109.5680	0.133	2	109.1006	0.390	15	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	H(C[5]C[5]O[5]C)	107.9630	0.000	1	107.9630	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	H(C[5]C[5]O[5]C)	109.5540	0.000	1	109.5540	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	111.3530	0.000	1	111.3530	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){4|H<1>}	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	H(C[5]C[5]O[5]C)	109.1070	0.000	1	109.1070	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	H(C[5]C[5]O[5]C)	109.4960	0.276	4	109.4960	0.076	4	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	H(C[5]C[5]O[5]C)	108.5365	0.257	2	108.5365	0.066	2	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(C[5]C[5]O[5]C)	106.8470	0.024	2	108.5194	1.421	7	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(C[5]C[5]O[5]C)	108.7740	0.110	2	108.5194	1.421	7	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(C[5]C[5]O[5]C)	109.4647	0.234	3	108.5194	1.421	7	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	H(C[5]C[5]O[5]C)	109.2590	0.000	1	109.2590	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(C[5]C[5]O[5]C)	109.3630	0.000	1	109.3630	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	H(C[5]C[5]O[5]C)	109.3540	0.000	1	109.3540	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	H(C[5]C[5]O[5]C)	109.6707	0.367	3	109.6990	0.093	4	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	H(C[5]C[5]O[5]C)	109.7840	0.000	1	109.6990	0.093	4	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	109.4400	0.000	1	109.4400	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	H(C[5]C[5]O[5]C)	110.8000	0.987	2	110.8000	0.974	2	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	109.0985	0.332	2	109.0985	0.110	2	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(C[5]C[5]O[5]C)	111.5090	0.000	1	111.5090	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	H(C[5]C[5]O[5]C)	109.5395	1.897	2	109.5395	3.599	2	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	109.1870	0.000	1	110.8696	8.484	5	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	108.1880	0.000	1	110.8696	8.484	5	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	112.3243	2.963	3	110.8696	8.484	5	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	108.6630	0.000	1	108.6630	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	H(C[5]C[5]O[5]C)	108.8870	0.000	1	108.8870	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]PtO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OPt)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]PtO)(O[5]C[5])(CCHO)(H){1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OPt)(H)	H(C[5]C[5]O[5]C)	111.1350	0.000	1	111.1350	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(C[5]C[5]O[5]C)	109.8670	0.000	1	109.8670	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,2|C<3>}	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(C[5]C[5]O[5]C)	109.7320	0.000	1	109.7320	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){3|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(C[5]C[5]O[5]C)	109.6923	0.572	3	109.6923	0.327	3	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	109.8770	0.000	1	109.8770	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H){1|C<3>,1|N<2>,2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(C[5]C[5]O[5]C)	110.3950	0.744	2	110.3950	0.553	2	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(C[5]C[5]O[5]C)	108.7795	0.006	2	108.7795	0.000	2	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(C[5]C[5]O[5]C)	109.6310	0.000	1	109.6310	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	H(C[5]C[5]O[5]C)	109.5760	0.000	1	109.5760	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	H(C[5]C[5]O[5]C)	108.8513	1.295	3	108.8513	1.676	3	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(C[5]C[5]O[5]C)	109.9050	0.000	1	107.1203	6.269	3	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(C[5]C[5]O[5]C)	105.7280	0.952	2	107.1203	6.269	3	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	H(C[5]C[5]O[5]C)	109.3840	0.645	2	109.3840	0.416	2	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(C[5]C[5]O[5]C)	107.5550	0.000	1	108.1270	0.654	2	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(C[5]C[5]O[5]C)	108.6990	0.000	1	108.1270	0.654	2	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(C[5]C[5]O[5]C)	104.5390	0.000	1	104.5390	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(C[5]C[5]O[5]C)	110.0780	0.000	1	110.0780	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(C[5]C[5]O[5]C)	108.8058	0.165	4	108.8058	0.027	4	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	H(C[5]C[5]O[5]C)	110.2160	0.429	2	110.2160	0.184	2	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	H(C[5]C[5]O[5]C)	109.6790	0.228	2	109.6790	0.052	2	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	H(C[5]C[5]O[5]C)	112.5360	0.000	1	112.5360	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	H(C[5]C[5]O[5]C)	110.0090	0.000	1	110.0090	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(C[5]C[5]O[5]C)	109.7720	0.000	1	109.7720	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	H(C[5]C[5]O[5]C)	109.9850	0.000	1	109.9850	0.000	1	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	H(C[5]C[5]O[5]C)	108.8425	0.476	2	108.8425	0.226	2	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	H(C[5]C[5]O[5]C)	109.7470	0.280	4	109.7470	0.079	4	109.3499	1.489	123	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHS)(H)	C(C[5]C[5]O[5]H)(CCHH)(SC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHS)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CCHH)(SC)(H)	H(C[5]C[5]O[5]C)	108.0940	0.000	1	108.0940	0.000	1	108.0940	0.000	1	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]O[5]C)	108.9950	0.000	1	108.9950	0.000	1	109.7756	0.912	19	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)2(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HO)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)2(OH)(H)	H(C[5]C[5]O[5]C)	109.3550	0.000	1	109.3550	0.000	1	109.7756	0.912	19	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5]C[5]O[5]C)	110.6320	0.000	1	110.6320	0.000	1	109.7756	0.912	19	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]O[5]C)	110.1280	0.000	1	110.1280	0.000	1	109.7756	0.912	19	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]O[5]C)	110.3030	0.000	1	110.3030	0.000	1	109.7756	0.912	19	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	H(C[5]C[5]O[5]C)	107.8960	0.000	1	107.8960	0.000	1	109.7756	0.912	19	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)2(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]O[5]H)2(OH)(H)	H(C[5]C[5]O[5]C)	109.3940	0.243	3	109.3940	0.059	3	109.7756	0.912	19	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]O[5]C)	109.2190	1.452	3	109.2190	2.107	3	109.7756	0.912	19	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]O[5]C)	110.7240	0.505	2	110.7240	0.255	2	109.7756	0.912	19	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]O[5]C)	111.0960	0.000	1	111.0960	0.000	1	109.7756	0.912	19	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)2(OC[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]O[5]H)2(OC[5])(H)	H(C[5]C[5]O[5]C)	109.9740	0.775	2	109.9740	0.601	2	109.7756	0.912	19	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)2(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]O[5]H)2(OH)(H)	H(C[5]C[5]O[5]C)	110.0485	0.795	2	110.0485	0.633	2	109.7756	0.912	19	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	H(C[5]C[5]O[5]C)	110.2810	0.018	2	110.2810	0.000	2	110.0587	0.148	3	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	H(C[5]C[5]O[5]C)	109.6140	0.000	1	109.6140	0.000	1	110.0587	0.148	3	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(Se[5]C[5])(CCHO)(H)	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	H(C[5]Se[5]C[5]C)	C[5](C[5]C[5]HO)(Se[5]C[5])(CCHO)(H){1|O<1>,3|H<1>}	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	H(C[5]Se[5]C[5]C)	109.6510	0.000	1	109.6510	0.000	1	109.6510	0.000	1	109.3754	1.312	170	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:2:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-2:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC3)(H)	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(CN)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(CN)2	H(C[5]C[5,6]O[5]C)	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	109.1333	0.061	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-2:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)(CC)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CH3)(CC)(OH)	H(C[5]C[5]O[5]C)	108.8660	0.000	1	108.8660	0.000	1	108.8660	0.000	1	109.1333	0.061	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:2:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:O-2:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCOO)(H)	C(C[5]C[5]O[5]H)(CF3)(OH)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCOO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CF3)(OH)2	H(C[5]C[5]O[5]C)	109.1800	0.000	1	109.1800	0.000	1	109.1800	0.000	1	109.1333	0.061	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CH3)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CH3)(COO)(H)	H(C[5]C[5]O[5]C)	109.2310	0.259	4	109.2310	0.067	4	109.0005	0.746	15	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	H(C[5]C[5]O[5]C)	109.2765	0.093	8	108.9063	1.241	9	109.0005	0.746	15	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|O<1>,1|S<4>}	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	H(C[5]C[5]O[5]C)	105.9450	0.000	1	108.9063	1.241	9	109.0005	0.746	15	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]C[5])(CCCH)(H){1|O<1>}	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	H(C[5]C[5]O[5]C)	109.0730	0.000	1	109.0730	0.000	1	109.0005	0.746	15	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CHHO)(CCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(CCH)(H)	H(C[5]C[5]O[5]C)	108.8530	0.000	1	108.8530	0.000	1	109.0005	0.746	15	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	H(C[5]C[5]O[5]C)	109.9360	0.000	1	109.9360	0.000	1	108.7991	9.146	19	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(NCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHN)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[6a]HH)(NCH)(H)	H(C[5]C[5]O[5]C)	111.9070	0.000	1	111.9070	0.000	1	108.7991	9.146	19	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	H(C[5]C[5]O[5]C)	109.6320	0.000	1	109.6320	0.000	1	108.7991	9.146	19	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NCC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(NCC)(H)	H(C[5]C[5]O[5]C)	106.8607	3.874	3	106.8607	15.011	3	108.7991	9.146	19	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	H(C[5]C[5]O[5]C)	107.4110	1.172	2	107.4110	1.374	2	108.7991	9.146	19	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	H(C[5]C[5]O[5]C)	109.1915	1.999	2	109.1915	3.996	2	108.7991	9.146	19	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHO)(NCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(NCH)(H)	H(C[5]C[5]O[5]C)	110.3227	3.611	3	110.3227	13.036	3	108.7991	9.146	19	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CHHO)(NCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(NCH)(H)	H(C[5]C[5]O[5]C)	101.0350	0.000	1	101.0350	0.000	1	108.7991	9.146	19	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CHHS)(NHS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CHHS)(NHS)(H)	H(C[5]C[5]O[5]C)	109.5495	0.503	2	109.5495	0.253	2	108.7991	9.146	19	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	H(C[5]C[5]O[5]C)	110.8420	0.000	1	110.8420	0.000	1	108.7991	9.146	19	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCFF)(NHS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCFF)(NHS)(H)	H(C[5]C[5]O[5]C)	109.9885	0.677	2	109.9885	0.458	2	108.7991	9.146	19	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OCoC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OCoC)(H)	H(C[5]C[5]O[5]C)	107.2110	0.044	2	107.2110	0.002	2	107.2110	0.002	2	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:N-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HN)(H)	C(C[5]C[5]O[5]H)(C[6]S[6]2C)(NCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HN)(H){2|H<1>}	C(C[5]C[5]O[5]H)(C[6]S[6]2C)(NCH)(H)	H(C[5]C[5]O[5]C)	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-4:N-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHNS)(H)	C(C[5]C[5]O[5]H)(SC[6a]OO)(NCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CHNS)(H){2|C<4>}	C(C[5]C[5]O[5]H)(SC[6a]OO)(NCH)(H)	H(C[5]C[5]O[5]C)	110.3610	0.000	1	110.3610	0.000	1	110.3610	0.000	1	108.8848	5.036	38	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)(COO)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CH3)(COO)(OH)	H(C[5]C[5]O[5]C)	109.4640	0.000	1	109.4640	0.000	1	108.3064	0.536	5	107.6977	2.652	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CCHH)(CCH)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCCO)(H){1|C<3>,3|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(CCH)(OH)	H(C[5]C[5]O[5]C)	107.6240	0.000	1	107.6240	0.000	1	108.3064	0.536	5	107.6977	2.652	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CHHN)(COO)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCCO)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(CHHN)(COO)(OH)	H(C[5]C[5]O[5]C)	108.1290	0.511	2	108.1290	0.261	2	108.3064	0.536	5	107.6977	2.652	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)(OC)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H){1|H<1>,4|C<4>}	C(C[5]C[5]O[5]H)(CH3)(CCH)(OC)	H(C[5]C[5]O[5]C)	108.1860	0.000	1	108.1860	0.000	1	108.3064	0.536	5	107.6977	2.652	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:3:2:	4:	N[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:S-2:	C[5]-4:	C[5](N[5]C[5]ReC)(S[5]C[5])(CCCS)(H)	C(C[5]N[5]S[5]H)(CH3)(CHH)(SRe)	H(C[5]N[5]S[5]C)	C[5](N[5]C[5]ReC)(S[5]C[5])(CCCS)(H){2|C<4>,2|H<1>}	C(C[5]N[5]S[5]H)(CH3)(CHH)(SRe)	H(C[5]N[5]S[5]C)	104.6540	0.000	1	104.6540	0.000	1	104.6540	0.000	1	107.6977	2.652	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCCH)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	H(C[5]C[5,5]O[5]C)	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,5])(CCHS)(H)	C(C[5]C[5,5]O[5]H)(SC[6a]OO)(CCHH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,5])(CCHS)(H){2|H<1>,4|C<4>}	C(C[5]C[5,5]O[5]H)(SC[6a]OO)(CCHH)(H)	H(C[5]C[5,5]O[5]C)	109.4760	0.000	1	109.4760	0.000	1	109.4760	0.000	1	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5])(CCCH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.6050	0.315	2	108.6050	0.099	2	108.4378	0.926	65	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H){1|B<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	107.8000	0.489	3	107.6771	0.182	12	108.4378	0.926	65	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	107.6338	0.310	6	107.6771	0.182	12	108.4378	0.926	65	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	107.6407	0.702	3	107.6771	0.182	12	108.4378	0.926	65	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CCHH)2(H)	H(C[5]C[5]N[5]C)	108.6307	0.466	6	108.6307	0.217	6	108.4378	0.926	65	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.4346	0.901	23	108.6076	1.080	45	108.4378	0.926	65	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.7884	1.160	22	108.6076	1.080	45	108.4378	0.926	65	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:Cl-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CClCC)(H)	C(C[5]C[5]O[5]H)(CH3)2(Cl)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CClCC)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CH3)2(Cl)	H(C[5]C[5]O[5]C)	108.9760	0.000	1	108.9760	0.000	1	108.9760	0.000	1	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CHHO)2(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>,3|C<4>}	C(C[5]C[5]O[5]H)(CHHO)2(H)	H(C[5]C[5]O[5]C)	107.8140	0.151	2	107.8140	0.023	2	108.4552	0.899	22	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	H(C[5]C[5]O[5]C)	109.2990	0.000	1	109.2990	0.000	1	108.4552	0.899	22	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	H(C[5]C[5]O[5]C)	109.4930	0.000	1	109.4930	0.000	1	108.4552	0.899	22	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	H(C[5]C[5]O[5]C)	108.5870	0.000	1	108.5870	0.000	1	108.4552	0.899	22	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	H(C[5]C[5]O[5]C)	109.0940	0.000	1	109.0940	0.000	1	108.4552	0.899	22	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	H(C[5]C[5]O[5]C)	109.3300	0.276	2	109.3300	0.076	2	108.4552	0.899	22	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CH3)2(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>,1|S<2>}	C(C[5]C[5]O[5]H)(CH3)2(H)	H(C[5]C[5]O[5]C)	108.3815	0.349	2	108.3815	0.122	2	108.4552	0.899	22	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	H(C[5]C[5]O[5]C)	108.2330	0.000	1	108.2330	0.000	1	108.4552	0.899	22	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CH3)2(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(CCCH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CH3)2(H)	H(C[5]C[5]O[5]C)	108.3100	0.000	1	108.3100	0.000	1	108.4552	0.899	22	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	H(C[5]C[5]O[5]C)	108.1360	0.003	2	108.1360	0.000	2	108.4552	0.899	22	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CH3)2(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CH3)2(H)	H(C[5]C[5]O[5]C)	109.2830	0.000	1	109.2830	0.000	1	108.4552	0.899	22	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	H(C[5]C[5]O[5]C)	106.9322	0.098	4	106.9322	0.010	4	108.4552	0.899	22	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	H(C[5]C[5]O[5]C)	109.9200	0.000	1	109.9200	0.000	1	108.4552	0.899	22	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	H(C[5]C[5]O[5]C)	109.3660	0.000	1	109.3660	0.000	1	108.4552	0.899	22	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){1|O<1>}	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	H(C[5]C[5]O[5]C)	109.3770	0.000	1	109.3770	0.000	1	108.4552	0.899	22	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:I-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCCI)(H)	C(C[5]C[5]O[5]H)(CH3)2(I)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCCI)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CH3)2(I)	H(C[5]C[5]O[5]C)	108.5090	0.786	3	108.5090	0.617	3	108.5090	0.617	3	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(O)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(O)	H(C[5]C[5]O[5]C)	109.7670	0.000	1	109.7670	0.000	1	109.4945	0.149	2	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CCFF)2(O)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCFF)2(O)	H(C[5]C[5]O[5]C)	109.2220	0.000	1	109.2220	0.000	1	109.4945	0.149	2	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	H(C[5]C[5]O[5]C)	109.0777	0.318	3	109.0777	0.101	3	109.0777	0.101	3	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H){1|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	H(C[5]C[5]O[5]C)	108.5320	0.000	1	108.4030	0.033	2	108.1457	0.215	3	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	H(C[5]C[5]O[5]C)	108.2740	0.000	1	108.4030	0.033	2	108.1457	0.215	3	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]CH)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]CH)(H){1|C<3>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	H(C[5]C[5]O[5]C)	107.6310	0.000	1	107.6310	0.000	1	108.1457	0.215	3	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(NRuHH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(NRuHH)(CH3)(H)	H(C[5]C[5]O[5]C)	109.6195	1.910	2	109.6195	3.648	2	109.6195	3.648	2	108.4941	0.931	103	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCCO)(H)	C(C[5]C[5,5]O[5]H)(CH3)2(OH)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCCO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(CH3)2(OH)	H(C[5]C[5,5]O[5]C)	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5,6]O[5]C)	107.3315	0.741	4	107.6252	0.567	6	107.6252	0.567	6	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5,6]O[5]C)	108.2125	0.394	2	107.6252	0.567	6	107.6252	0.567	6	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:N-2:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCN)(H)	C(C[5]C[5]O[5]H)(CHHO)2(NN)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)2(NN)	H(C[5]C[5]O[5]C)	107.1590	0.000	1	107.1590	0.000	1	107.1590	0.000	1	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(O[5]C[5,6])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,3x6]HH)(O[5]C[5,6])(CCCO)(H){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	108.6350	0.000	1	108.6350	0.000	1	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	H(C[5]C[5]O[5]C)	108.5020	0.000	1	108.5020	0.000	1	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	109.8777	0.263	3	109.8777	0.069	3	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	108.9743	0.181	3	108.6020	0.576	4	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	107.4850	0.000	1	108.6020	0.576	4	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	H(C[5]C[5]O[5]C)	109.0670	0.465	2	109.0670	0.216	2	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	107.9010	1.506	4	107.9010	2.269	4	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	H(C[5]C[5]O[5]C)	108.9660	0.000	1	108.9660	0.000	1	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	107.5490	0.133	2	107.5490	0.018	2	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	107.9640	0.000	1	107.9640	0.000	1	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5]O[5]C)	108.4030	0.236	2	108.4030	0.056	2	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CCHH)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)2(OH)	H(C[5]C[5]O[5]C)	108.7000	0.000	1	108.7000	0.000	1	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	H(C[5]C[5]O[5]C)	107.5550	0.000	1	107.5550	0.000	1	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	109.2900	0.000	1	108.7523	0.228	24	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	109.0972	0.302	6	108.7523	0.228	24	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	108.5990	0.459	17	108.7523	0.228	24	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CCFF)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCFF)2(OH)	H(C[5]C[5]O[5]C)	108.5808	0.894	9	108.5808	0.799	9	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CF3)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CF3)2(OH)	H(C[5]C[5]O[5]C)	108.5610	0.766	7	108.5610	0.587	7	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(C[5]C[5]O[5]C)	108.9505	0.256	4	108.9505	0.066	4	108.6420	0.553	67	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	P[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](P[5]C[5,6]PdC)(O[5]C[5,6])(CCCO)(H)	C(C[5]O[5]P[5]H)(CH3)2(OPd)	H(C[5]O[5]P[5]C)	C[5](P[5]C[5,6]PdC)(O[5]C[5,6])(CCCO)(H){1|C<3>,1|C<4>}	C(C[5]O[5]P[5]H)(CH3)2(OPd)	H(C[5]O[5]P[5]C)	109.3840	0.000	1	109.3840	0.000	1	108.8875	0.493	2	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:2:	4:	P[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](P[5]C[5,6a]PdC)(O[5]C[5,6a])(CCCO)(H)	C(C[5]O[5]P[5]H)(CH3)2(OPd)	H(C[5]O[5]P[5]C)	C[5](P[5]C[5,6a]PdC)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C(C[5]O[5]P[5]H)(CH3)2(OPd)	H(C[5]O[5]P[5]C)	108.3910	0.000	1	108.3910	0.000	1	108.8875	0.493	2	108.5324	0.648	77	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	107.2353	1.794	4	107.6173	4.782	7	107.6173	4.782	7	106.0035	12.593	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	108.1267	2.973	3	107.6173	4.782	7	107.6173	4.782	7	106.0035	12.593	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC3)(H)	C(C[5]C[5]O[5]H)(CH3)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC3)(H){1|H<1>,3|C<4>}	C(C[5]C[5]O[5]H)(CH3)3	H(C[5]C[5]O[5]C)	108.2860	0.000	1	108.2860	0.000	1	105.7703	11.642	4	106.0035	12.593	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(CC3)(H)	C(C[5]C[5]O[5]H)(CH3)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(CC3)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CH3)3	H(C[5]C[5]O[5]C)	102.8495	0.688	2	102.8495	0.473	2	105.7703	11.642	4	106.0035	12.593	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC3)(H)	C(C[5]C[5]O[5]H)(CHHS)(CH3)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC3)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CHHS)(CH3)2	H(C[5]C[5]O[5]C)	109.0960	0.000	1	109.0960	0.000	1	105.7703	11.642	4	106.0035	12.593	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:4:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(CC3)(H)	C(C[5]C[5]S[5]H)(CH3)3	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]HH)(S[5]C[5])(CC3)(H){1|H<1>,1|S<1>}	C(C[5]C[5]S[5]H)(CH3)3	H(C[5]C[5]S[5]C)	98.0508	0.000	1	98.0508	0.000	1	98.0508	0.000	1	106.0035	12.593	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:2:4:1:	4:4:4:4:	4:	P[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](P[5]N[5]CW)(O[5]C[5])(CC3)(H)	C(C[5]O[5]P[5]H)(CH3)3	H(C[5]O[5]P[5]C)	C[5](P[5]N[5]CW)(O[5]C[5])(CC3)(H){1|C<4>}	C(C[5]O[5]P[5]H)(CH3)3	H(C[5]O[5]P[5]C)	103.5930	0.000	1	103.5930	0.000	1	103.5930	0.000	1	106.0035	12.593	13	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]N[5]H)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]N[5]H)(H)2	H(C[5]C[5,6]N[5]C)	109.4098	0.199	4	109.4794	0.042	7	109.4794	0.042	7	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]N[5]H)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]N[5]H)(H)2	H(C[5]C[5,6]N[5]C)	109.5723	0.207	3	109.4794	0.042	7	109.4794	0.042	7	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5a]HH)(H){1|S<4>,2|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	110.6410	0.000	1	110.6410	0.000	1	110.6410	0.000	1	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	107.3330	0.000	1	107.3330	0.000	1	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H){1|C<2>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	107.8510	0.000	1	107.5830	0.144	2	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	107.3150	0.000	1	107.5830	0.144	2	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	107.3633	0.243	3	107.3633	0.059	3	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.5985	0.711	2	107.1743	4.389	7	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H){1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	105.0110	0.634	2	107.1743	4.389	7	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	107.6670	2.375	3	107.1743	4.389	7	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.3040	0.000	1	108.3040	0.000	1	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.8520	0.000	1	108.8520	0.000	1	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.5080	0.000	1	108.5080	0.000	1	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	102.1040	0.000	1	103.4480	12.773	5	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	107.2300	0.648	2	103.4480	12.773	5	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	100.3380	0.956	2	103.4480	12.773	5	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	110.3400	0.000	1	110.3400	0.000	1	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	106.9330	0.000	1	106.9330	0.000	1	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	107.5290	0.000	1	107.5290	0.000	1	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.3330	0.000	1	108.3330	0.000	1	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	111.3860	0.000	1	111.3860	0.000	1	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HH)(H){1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	110.0340	0.000	1	110.0340	0.000	1	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CO)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]CO)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	107.2525	0.047	2	107.2525	0.002	2	107.1301	6.817	29	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5a]HH)(H)	C(N[5a]C[5a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5a]HH)(H){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	N[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CN[6a]HH)(H)	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CN[6a]HH)(H){2|H<1>}	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	112.0880	0.000	1	112.0880	0.000	1	112.0880	0.000	1	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(H){1|C<3>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	109.5810	0.000	1	109.5810	0.000	1	109.8753	0.287	3	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H){1|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	109.5510	0.000	1	109.5510	0.000	1	109.8753	0.287	3	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[5a]HH)(H){1|S<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	110.4940	0.000	1	110.4940	0.000	1	109.8753	0.287	3	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CN[5a]HH)(H){1|O<1>}	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	108.0057	6.376	43	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HO)(H){1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	108.7260	0.000	1	108.7260	0.000	1	108.1901	2.307	13	108.2869	2.261	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HO)(H){1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	108.1930	0.000	1	108.1930	0.000	1	108.1901	2.307	13	108.2869	2.261	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HO)(H){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	107.4815	0.735	2	107.4815	0.540	2	108.1901	2.307	13	108.2869	2.261	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H){3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	109.5960	0.017	2	109.5960	0.000	2	108.1901	2.307	13	108.2869	2.261	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(H){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	105.9330	2.575	2	105.9330	6.632	2	108.1901	2.307	13	108.2869	2.261	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	108.1140	0.000	1	108.1140	0.000	1	108.1901	2.307	13	108.2869	2.261	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	108.5710	0.000	1	108.5710	0.000	1	108.1901	2.307	13	108.2869	2.261	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	108.2180	0.000	2	108.2180	0.000	2	108.1901	2.307	13	108.2869	2.261	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HO)(H){1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	110.4100	0.000	1	110.4100	0.000	1	108.1901	2.307	13	108.2869	2.261	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(OH)(H)	H(C[5]C[5]N[5]C)	109.5450	0.000	1	109.5450	0.000	1	109.5450	0.000	1	108.2869	2.261	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]CH)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	H(C[5]C[5]2C)	108.2290	1.383	2	108.2290	1.913	2	108.2290	1.913	2	107.4580	6.751	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HN)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	H(C[5]C[5]2C)	102.1140	0.000	1	102.1140	0.000	1	106.4650	9.185	4	107.4580	6.751	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HN)(H){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	H(C[5]C[5]2C)	109.1460	0.000	1	109.1460	0.000	1	106.4650	9.185	4	107.4580	6.751	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NC[6a]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HN)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(NC[6a]H)(H)	H(C[5]C[5]2C)	107.4440	0.000	1	107.4440	0.000	1	106.4650	9.185	4	107.4580	6.751	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HN)(H){3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	H(C[5]C[5]2C)	107.1560	0.000	1	107.1560	0.000	1	106.4650	9.185	4	107.4580	6.751	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[5a]HN)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(NCO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[5a]HN)(H){2|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(NCO)(H)	H(C[5]C[5]N[5]C)	109.8880	0.000	1	109.8880	0.000	1	109.8880	0.000	1	107.4580	6.751	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CC)(H){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(CN)	H(C[5]C[5]2C)	109.0650	0.000	1	109.0650	0.000	1	109.0650	0.000	1	108.1903	0.590	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-3:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(NC)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CN)(H){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(NC)	H(C[5]C[5]2C)	107.6260	0.000	1	107.6260	0.000	1	107.6260	0.000	1	108.1903	0.590	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CO)(H){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	H(C[5]C[5]2C)	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	108.1903	0.590	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(H){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	H(C[5]C[5]2C)	107.4900	1.546	2	107.4900	2.389	2	107.5318	0.938	4	107.5318	0.938	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)(H){1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	H(C[5]C[5]2C)	107.5735	0.647	2	107.5735	0.419	2	107.5318	0.938	4	107.5318	0.938	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]HO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CO)(H){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]HO)(OH)	H(C[5]C[5]2C)	108.1375	3.607	2	108.1375	13.010	2	108.1375	13.010	2	108.1375	13.010	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:4:3:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(NHS)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CN)(H){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(NHS)	H(C[5]C[5]2C)	107.8140	0.000	1	107.8140	0.000	1	107.8140	0.000	1	107.8140	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H){1|C<4>,3|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	H(C[5]C[5]N[5]C)	106.6765	0.164	4	107.0456	0.701	5	107.3643	0.497	11	107.3643	0.497	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H){4|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	H(C[5]C[5]N[5]C)	108.5220	0.000	1	107.0456	0.701	5	107.3643	0.497	11	107.3643	0.497	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H){1|C<4>,3|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	H(C[5]C[5]N[5]C)	107.7792	0.562	4	107.6298	0.246	6	107.3643	0.497	11	107.3643	0.497	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	3:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H){4|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	H(C[5]C[5]N[5]C)	107.3310	0.132	2	107.6298	0.246	6	107.3643	0.497	11	107.3643	0.497	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H)	C(C[5]C[3,5]C[5]H)(H)3	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C(C[5]C[3,5]C[5]H)(H)3	H(C[5]C[3,5]C[5]C)	109.9965	0.021	2	110.3877	0.301	4	110.3877	0.301	4	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H)	C(C[5]C[3,5]C[5]H)(H)3	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[3,5]C[5]H)(H)3	H(C[5]C[3,5]C[5]C)	110.7790	0.539	2	110.3877	0.301	4	110.3877	0.301	4	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H)	C(C[5]C[3,5]N[5]H)(F)3	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H){1|C<4>,2|H<1>}	C(C[5]C[3,5]N[5]H)(F)3	H(C[5]C[3,5]N[5]C)	109.5890	0.000	1	109.5080	0.016	4	109.5080	0.016	4	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H)	C(C[5]C[3,5]N[5]H)(F)3	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H){1|H<1>,2|C<4>}	C(C[5]C[3,5]N[5]H)(F)3	H(C[5]C[3,5]N[5]C)	109.4810	0.142	3	109.5080	0.016	4	109.5080	0.016	4	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H)	C(C[5]C[3,5]N[5]H)(H)3	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H){1|C<4>,2|H<1>}	C(C[5]C[3,5]N[5]H)(H)3	H(C[5]C[3,5]N[5]C)	109.5150	0.363	3	109.4472	0.106	4	109.3822	0.101	5	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H)	C(C[5]C[3,5]N[5]H)(H)3	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H){3|H<1>}	C(C[5]C[3,5]N[5]H)(H)3	H(C[5]C[3,5]N[5]C)	109.2440	0.000	1	109.4472	0.106	4	109.3822	0.101	5	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]H)(CH3)(H)	C(C[5]C[3,5]N[5]H)(H)3	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]H)(CH3)(H){1|C<4>,1|O<1>}	C(C[5]C[3,5]N[5]H)(H)3	H(C[5]C[3,5]N[5]C)	109.1220	0.000	1	109.1220	0.000	1	109.3822	0.101	5	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[4,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]O)(CH3)(H)	C(C[5]C[4,5]C[5]H)(H)3	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[4,5]C[5]H)(H)3	H(C[5]C[4,5]C[5]C)	105.0198	4.968	3	105.0198	24.680	3	106.7093	17.958	5	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[4,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H)	C(C[5]C[4,5]C[5]H)(H)3	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[4,5]C[5]H)(H)3	H(C[5]C[4,5]C[5]C)	109.2435	1.032	2	109.2435	1.064	2	106.7093	17.958	5	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)(C[5]C[4,5,6]O)(CH3)(H)	C(C[5]C[5,5,6,6]C[5]H)(H)3	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)(C[5]C[4,5,6]O)(CH3)(H){2|H<1>,5|C<4>}	C(C[5]C[5,5,6,6]C[5]H)(H)3	H(C[5]C[5,5,6,6]C[5]C)	111.0500	0.000	1	111.0500	0.000	1	108.0320	6.866	3	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5,6,6]C[5]H)(H)3	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H){1|C<4>,1|H<1>,6|C<3>}	C(C[5]C[5,5,6,6]C[5]H)(H)3	H(C[5]C[5,5,6,6]C[5]C)	106.7100	0.000	1	106.5230	0.070	2	108.0320	6.866	3	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5,6,6]C[5]H)(H)3	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H){1|H<1>,2|C<4>,5|C<3>}	C(C[5]C[5,5,6,6]C[5]H)(H)3	H(C[5]C[5,5,6,6]C[5]C)	106.3360	0.000	1	106.5230	0.070	2	108.0320	6.866	3	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5]O[5]O)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	107.0335	0.227	2	107.0335	0.052	2	107.5550	1.783	11	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	109.7000	0.000	1	109.7000	0.000	1	107.5550	1.783	11	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	107.2770	0.000	1	107.2770	0.000	1	107.5550	1.783	11	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	107.0967	1.085	3	107.0967	1.177	3	107.5550	1.783	11	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]O)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	107.1620	0.000	1	107.1620	0.000	1	107.5550	1.783	11	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(CH3)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	106.3940	0.000	1	106.3940	0.000	1	107.5550	1.783	11	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H){3|C<4>,5|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	110.3180	0.000	1	108.6075	5.852	2	107.5550	1.783	11	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H){3|C<4>,7|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	106.8970	0.000	1	108.6075	5.852	2	107.5550	1.783	11	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(CH3)(H){3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	110.3895	0.021	2	110.3895	0.000	2	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5,5]O)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5]C[5,5]O)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.9420	2.626	2	108.9420	6.897	2	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]O)(C[5]N[5,5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5]C[5]O)(C[5]N[5,5]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.1880	0.000	1	108.1880	0.000	1	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	115.6970	0.000	1	115.6970	0.000	1	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|O<2>,4|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.8315	0.268	2	107.8315	0.072	2	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,4|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	111.0625	0.637	2	111.0625	0.406	2	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]Cl)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]Cl)(CH3)(H){1|Cl<1>,2|O<2>,3|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	109.9720	0.000	1	109.9720	0.000	1	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CH3)(H){1|C<4>,1|N<3>,5|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.2530	0.000	1	107.2530	0.000	1	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)(H){3|C<4>,4|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.1910	0.870	2	108.1910	0.756	2	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	110.1050	0.000	1	110.1050	0.000	1	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3)(H){4|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	110.4045	0.947	2	110.4045	0.896	2	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.3640	0.000	1	107.3640	0.000	1	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3)(H){4|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	110.8620	0.000	1	110.8620	0.000	1	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3)(H){4|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	110.3065	0.015	2	110.3065	0.000	2	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)(H){1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	109.7670	0.000	1	109.7670	0.000	1	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)(H){1|O<2>,3|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.9020	0.000	1	107.9020	0.000	1	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|Cl<1>,1|Cr<6>,1|O<2>,3|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	109.3270	0.000	1	109.0630	0.074	3	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|Cl<1>,1|Mo<6>,1|O<2>,3|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	109.0790	0.000	1	109.0630	0.074	3	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|F<1>,1|O<2>,1|W<6>,3|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.7830	0.000	1	109.0630	0.074	3	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)(H){1|H<1>,4|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.5310	0.000	1	108.5310	0.000	1	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	109.2690	0.000	1	109.2690	0.000	1	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CH3)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	106.8730	0.468	2	106.8730	0.219	2	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.0320	0.000	1	107.4977	0.256	3	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.4340	0.000	1	107.4977	0.256	3	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.0270	0.000	1	107.4977	0.256	3	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(CH3)(H){1|C<2>,4|C<4>,4|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	106.6400	0.000	1	106.6400	0.000	1	109.0951	3.446	34	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H)	C(C[5]C[5,5]N[5,5]H)(H)3	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]N[5,5]H)(H)3	H(C[5]C[5,5]N[5,5]C)	110.2380	0.267	2	109.6190	1.185	3	109.6190	1.185	3	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H)	C(C[5]C[5,5]N[5,5]H)(H)3	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[5]C[5,5]N[5,5]H)(H)3	H(C[5]C[5,5]N[5,5]C)	108.3810	0.000	1	109.6190	1.185	3	109.6190	1.185	3	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H)	C(C[5]C[5,5]N[5,5]H)(H)2(I)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,5]N[5,5]H)(H)2(I)	H(C[5]C[5,5]N[5,5]C)	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C[6a])(CF3)(H)	C(C[5]C[5,5]N[5]H)(F)3	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C[6a])(CF3)(H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C(C[5]C[5,5]N[5]H)(F)3	H(C[5]C[5,5]N[5]C)	109.7130	0.000	1	109.7130	0.000	1	109.7130	0.000	1	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(CH3)(H){3|C<4>,4|H<1>}	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	108.6120	0.000	1	108.6120	0.000	1	108.9388	0.379	14	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	108.6870	0.212	2	108.6870	0.045	2	108.9388	0.379	14	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]C)(CH3)(H){1|N<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	109.0110	0.000	1	109.0110	0.000	1	108.9388	0.379	14	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(CH3)(H){1|C<3>,1|N<2>,4|H<1>}	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	108.4070	0.000	1	108.4070	0.000	1	108.9388	0.379	14	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CH3)(H)	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	108.7493	0.243	3	108.7493	0.059	3	108.9388	0.379	14	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H)	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	109.0190	0.180	2	108.6183	0.498	3	108.9388	0.379	14	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H)	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H){2|H<1>,5|C<3>}	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	107.8170	0.000	1	108.6183	0.498	3	108.9388	0.379	14	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(CH3)(H)	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	109.6040	0.000	1	109.6040	0.000	1	108.9388	0.379	14	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	110.1930	0.000	1	110.1930	0.000	1	108.9388	0.379	14	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>,2|C<4>}	C(C[5]C[5,5]N[5]H)(H)3	H(C[5]C[5,5]N[5]C)	109.8390	0.000	1	109.8390	0.000	1	108.9388	0.379	14	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:P[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(P[5]C[3x6]P[5])(CH3)(H)	C(C[5]C[5,5]P[5]H)(H)3	H(C[5]C[5,5]P[5]C)	C[5](C[5,5]C[5,5]C[5]Fe)(P[5]C[3x6]P[5])(CH3)(H){1|H<1>,6|C<4>}	C(C[5]C[5,5]P[5]H)(H)3	H(C[5]C[5,5]P[5]C)	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]O[5])(CH3)(H)	C(C[5]C[5,6,6]C[5]H)(H)3	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]O[5])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C(C[5]C[5,6,6]C[5]H)(H)3	H(C[5]C[5,6,6]C[5]C)	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C(C[5]C[5,6a]C[5,6]H)(H)3	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|Al<5>,1|C<4>,1|O<3>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,6]H)(H)3	H(C[5]C[5,6a]C[5,6]C)	108.1010	0.000	1	108.9053	1.206	7	108.9053	1.206	7	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C(C[5]C[5,6a]C[5,6]H)(H)3	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,6]H)(H)3	H(C[5]C[5,6a]C[5,6]C)	109.0965	0.135	2	108.9053	1.206	7	108.9053	1.206	7	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C(C[5]C[5,6a]C[5,6]H)(H)3	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,6]H)(H)3	H(C[5]C[5,6a]C[5,6]C)	109.0108	1.467	4	108.9053	1.206	7	108.9053	1.206	7	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.9960	0.000	1	107.9960	0.000	1	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.8610	0.473	4	107.8610	0.224	4	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.4960	0.000	1	109.4960	0.000	1	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	105.1270	0.000	1	105.1270	0.000	1	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CH3)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	106.5295	0.121	2	106.5295	0.015	2	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.4090	0.000	1	109.4090	0.000	1	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	106.4355	0.344	2	106.8173	0.497	3	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.5810	0.000	1	106.8173	0.497	3	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.4900	0.000	1	108.4900	0.000	1	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)(H){2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.3820	0.000	1	108.3820	0.000	1	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.8195	0.884	13	108.7446	0.635	20	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.4970	0.000	1	108.7446	0.635	20	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.8110	0.000	1	108.7446	0.635	20	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.0500	0.000	1	108.7446	0.635	20	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.9698	0.343	4	108.7446	0.635	20	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	110.7450	0.000	1	110.7450	0.000	1	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.0550	0.000	1	107.0550	0.000	1	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(CH3)(H){1|C<3>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.4730	0.000	1	107.4730	0.000	1	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.6977	0.267	6	107.6977	0.071	6	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.4240	1.220	2	107.4240	1.490	2	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.3825	0.373	2	108.3825	0.139	2	108.1629	1.217	48	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H)	C(C[5]C[5,6]N[5]H)(H)3	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5,6]N[5]H)(H)3	H(C[5]C[5,6]N[5]C)	109.9150	0.000	1	109.6665	0.124	2	109.6665	0.124	2	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H)	C(C[5]C[5,6]N[5]H)(H)3	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]N[5]H)(H)3	H(C[5]C[5,6]N[5]C)	109.4180	0.000	1	109.6665	0.124	2	109.6665	0.124	2	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:Cl-1:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCl2H)(H)	C(C[5]C[5]2H)(Cl)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCl2H)(H){1|Si<4>,2|H<1>}	C(C[5]C[5]2H)(Cl)2(H)	H(C[5]C[5]2C)	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CClHH)(H)	C(C[5]C[5]2H)(Cl)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CClHH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]2H)(Cl)(H)2	H(C[5]C[5]2C)	109.9520	0.000	1	109.9520	0.000	1	109.9520	0.000	1	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5]O)(CF3)(H)	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]N[5]O)(CF3)(H){1|C<4>,2|C<3>}	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	107.7190	0.000	1	107.7190	0.000	1	108.6710	0.449	5	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(CF3)(H)	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(CF3)(H){1|C<4>,4|C<3>}	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	108.4100	0.000	1	108.4100	0.000	1	108.6710	0.449	5	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CF3)(H)	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CF3)(H){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	108.8510	0.168	2	108.8510	0.028	2	108.6710	0.449	5	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CF3)(H)	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CF3)(H){3|C<3>}	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	109.5240	0.000	1	109.5240	0.000	1	108.6710	0.449	5	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.6930	0.000	1	108.6930	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.5095	0.415	2	107.5095	0.172	2	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]H)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]H)(C[5]C[5]O)(CH3)(H){2|H<1>,3|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	106.5120	0.000	1	106.5120	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CH3)(H){1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.1470	0.000	1	108.1470	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.7690	0.000	1	108.7690	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H){1|C<3>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.3748	0.905	5	109.3748	0.819	5	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]C)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[5]C)(C[5]O[5]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.0750	0.000	1	107.0750	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.1817	0.840	4	109.1817	0.706	4	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.6070	0.000	1	107.2490	0.256	2	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	106.8910	0.000	1	107.2490	0.256	2	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.2850	0.000	1	107.9928	0.545	5	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.5730	0.000	1	107.9928	0.545	5	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|H<1>,3|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.0353	0.978	3	107.9928	0.545	5	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.6568	1.295	4	108.6568	1.678	4	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|O<2>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.4810	0.000	2	108.4810	0.000	2	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	106.5330	0.000	1	106.5330	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.0060	0.000	1	107.0060	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CH3)(H){4|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	106.8050	0.000	1	106.8050	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H){1|C<3>,1|N<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.9780	0.000	1	108.4145	4.889	2	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	106.8510	0.000	1	108.4145	4.889	2	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.1600	0.151	3	107.1600	0.023	3	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]O[5]O)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.3880	0.000	1	108.3880	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]Ir)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]Ir)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	105.5050	0.000	1	105.5050	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.9640	0.000	1	109.9640	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.7770	0.860	2	110.7770	0.739	2	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.0300	1.220	2	108.0300	1.490	2	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H){4|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.2655	3.311	4	109.2655	10.962	4	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)(H){1|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	106.9272	4.370	6	106.9272	19.100	6	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	105.3290	0.000	1	106.5763	1.527	3	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H){1|Ni<4>,1|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.2000	0.849	2	106.5763	1.527	3	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.0779	0.465	14	107.3595	5.086	40	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	106.8630	2.802	24	107.3595	5.086	40	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.0960	0.000	1	107.3595	5.086	40	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.4830	0.000	1	107.3595	5.086	40	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)(H){2|O<2>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.2850	0.000	1	107.2850	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.8367	0.281	3	108.8367	0.079	3	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CS)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	100.8000	0.000	1	100.8000	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.8720	0.000	1	110.8720	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.4390	0.000	1	108.4390	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)(H){1|Ni<4>,1|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	112.1490	0.000	1	112.1490	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.4540	0.000	1	107.4540	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]C)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.9300	0.000	1	108.9300	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.2730	0.000	1	108.2301	1.692	13	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.0341	1.427	10	108.2301	1.692	13	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.6885	0.288	2	108.2301	1.692	13	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.1475	0.590	2	109.1475	0.349	2	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)(H){1|H<1>,1|N<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.1850	0.000	1	107.1850	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.7153	0.389	3	107.7873	0.121	4	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.0030	0.000	1	107.7873	0.121	4	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.2430	0.000	1	108.4263	2.493	3	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.3840	0.000	1	108.4263	2.493	3	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|O<2>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.6520	0.000	1	108.4263	2.493	3	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.7400	0.000	1	108.7400	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CH3)(H){1|N<3>,3|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	106.1920	0.000	1	106.1920	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.1450	0.000	1	110.1450	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.3807	0.216	3	107.4434	0.034	5	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.5375	0.118	2	107.4434	0.034	5	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CH3)(H){4|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.0660	0.550	4	108.0660	0.303	4	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.5490	0.000	1	109.5490	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]P)(C[5]C[5]H)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]P)(C[5]C[5]H)(CH3)(H){2|H<1>,3|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.4205	0.090	2	110.4205	0.008	2	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CH3)(H){5|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.7820	0.000	1	109.7820	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CH3)(H){1|C<4>,3|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.0800	0.000	1	108.0800	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(CH3)(H){1|C<3>,1|C<4>,1|S<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.3465	0.105	2	110.3465	0.011	2	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	106.4410	0.000	1	106.4410	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	112.2340	0.000	1	112.2340	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)(H){1|H<1>,1|S<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.8280	0.000	1	109.8280	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>,1|H<1>,1|S<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.3570	0.000	1	110.2381	0.069	10	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.2800	0.323	3	110.2381	0.069	10	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.1973	0.278	6	110.2381	0.069	10	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]N[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]N[5]C)(CH3)(H){1|O<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.6520	0.000	1	109.6520	0.000	1	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.3160	0.000	1	110.4093	1.049	3	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H){2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.9560	0.552	2	110.4093	1.049	3	108.2128	4.134	166	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]O)(CBrHH)(H)	C(C[5]C[5]N[5]H)(Br)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]O)(CBrHH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]N[5]H)(Br)(H)2	H(C[5]C[5]N[5]C)	108.3070	0.000	1	108.3070	0.000	1	108.1527	0.020	3	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CBrHH)(H)	C(C[5]C[5]N[5]H)(Br)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CBrHH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]N[5]H)(Br)(H)2	H(C[5]C[5]N[5]C)	108.1180	0.000	1	108.1180	0.000	1	108.1527	0.020	3	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CBrHH)(H)	C(C[5]C[5]N[5]H)(Br)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CBrHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(Br)(H)2	H(C[5]C[5]N[5]C)	108.0330	0.000	1	108.0330	0.000	1	108.1527	0.020	3	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]H)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]H)(CF3)(H){1|S<2>,3|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	108.6830	0.000	1	108.6830	0.000	1	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H){1|C<4>,5|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.7470	0.962	2	109.7470	0.925	2	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(H){1|S<2>,5|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.1695	0.182	2	109.1695	0.033	2	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(CF3)(H){1|C<4>,3|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.5770	0.000	1	109.5770	0.000	1	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H){2|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.8300	0.000	1	109.8300	0.000	1	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]C)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]C)(CF3)(H){2|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	110.2580	0.000	1	110.2580	0.000	1	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]N[5]H)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]N[5]H)(CF3)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.8740	0.000	1	109.8740	0.000	1	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CF3)(H){4|H<1>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	110.0760	0.126	2	110.0760	0.016	2	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CF3)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	110.0820	0.000	1	110.0820	0.000	1	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.9477	0.568	3	109.9477	0.323	3	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CF3)(H){1|O<2>,3|H<1>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	108.7600	0.000	1	108.7600	0.000	1	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]N[5]H)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]N[5]H)(CF3)(H){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.7600	0.000	1	109.7600	0.000	1	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CF3)(H){1|H<1>,5|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	110.4850	0.000	1	110.4850	0.000	1	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H){1|H<1>,1|N<3>,4|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	106.5280	0.000	1	107.8820	3.667	2	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H){1|H<1>,5|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	109.2360	0.000	1	107.8820	3.667	2	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CF3)(H){3|C<3>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	110.0310	0.000	1	110.0310	0.000	1	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CF3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(F)3	H(C[5]C[5]N[5]C)	110.2290	0.000	1	110.2290	0.000	1	109.5982	0.769	22	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]B[5]HH)(N[5]C[5]C)(CH3)(H){2|Br<1>,1|H<1>,1|N<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.8000	0.000	1	108.8000	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.7810	0.000	1	108.6975	0.014	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H){1|H<1>,2|C<4>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.6140	0.000	1	108.6975	0.014	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]B[5]H)(N[5]C[5,6a]S)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]B[5]H)(N[5]C[5,6a]S)(CH3)(H){2|C<3>,2|O<2>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	110.2610	0.000	1	110.2610	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	107.6890	0.000	1	107.6890	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.0440	0.932	4	109.0440	0.869	4	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H){2|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	107.8992	1.380	5	107.8992	1.905	5	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H){2|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.6100	0.686	2	109.6100	0.470	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.7410	0.000	1	109.5180	0.212	3	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.4065	0.590	2	109.5180	0.212	3	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.2065	1.824	2	108.2065	3.326	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.8350	0.000	1	108.9624	4.754	19	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.5023	0.174	4	108.9624	4.754	19	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.2373	1.947	3	108.9624	4.754	19	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.3020	0.000	1	108.9624	4.754	19	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){2|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.0530	0.000	1	108.9624	4.754	19	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.8194	3.043	9	108.9624	4.754	19	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.1265	0.131	2	108.2010	1.727	4	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|C<4>,1|P<4>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	106.3430	0.000	1	108.2010	1.727	4	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.2080	0.000	1	108.2010	1.727	4	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.9630	0.000	1	109.8027	0.027	3	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.7225	0.124	2	109.8027	0.027	3	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]W)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]W)(CH3)(H){4|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.7675	0.050	2	109.7675	0.003	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]O[5]S)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]O[5]S)(CH3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.7270	0.156	2	109.7270	0.024	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.0760	0.000	1	108.7180	0.824	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.3600	0.000	1	108.7180	0.824	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]S)(CH3)(H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	111.0340	0.000	1	111.0340	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SiC)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]SiC)(N[5]C[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.6760	0.000	1	108.6760	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6]O[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|O<2>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	110.3500	0.000	2	110.3500	0.000	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6]O[5]H)(N[5]C[5]H)(CH3)(H){1|O<1>,1|S<2>,2|C<4>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.4160	0.000	1	108.4160	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CH3)(H){1|F<1>,1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.1650	0.000	1	109.1650	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.8280	0.000	1	109.8280	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.3597	0.157	3	108.5838	0.644	9	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,3|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.6958	0.987	6	108.5838	0.644	9	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]As[5,5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]As[5,5]H)(CH3)(H){1|N<3>,1|O<2>,3|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.6610	0.354	2	108.6610	0.125	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H){2|C<3>,2|C<4>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.0795	0.422	4	109.0795	0.178	4	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.7975	0.561	17	109.2579	0.567	30	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.8599	0.508	13	109.2579	0.567	30	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(CH3)(H){1|S<1>,2|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.8780	2.432	2	108.8780	5.917	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Ru)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Ru)(CH3)(H){1|C<4>,2|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	110.8890	0.000	1	110.8890	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(CH3)(H){1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.5925	0.825	2	109.5925	0.681	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.5955	0.585	11	108.6599	0.362	12	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.3690	0.000	1	108.6599	0.362	12	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H){1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.7020	0.000	1	109.7020	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]S[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]S[5]H)(CH3)(H){2|C<3>,2|O<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.1110	0.000	1	108.1110	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.7590	0.000	1	108.7590	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	110.0320	0.000	1	110.0320	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CC)(N[5]C[5]S)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CC)(N[5]C[5]S)(CH3)(H){1|N<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.8290	0.000	1	109.8290	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]Si[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]Si[5]C)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.2025	0.032	2	109.2025	0.001	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	105.7640	0.000	1	105.7640	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]H)(CH3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.5240	0.000	1	109.5240	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H){2|C<4>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.7480	0.375	2	109.7480	0.140	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CH3)(H){1|O<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.6410	0.000	1	109.6410	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	110.0565	0.310	2	110.0331	0.160	8	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|N<2>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	110.4980	0.000	1	110.0331	0.160	8	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|O<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.8473	0.236	3	110.0331	0.160	8	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|S<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	110.0560	0.768	2	110.0331	0.160	8	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.4215	0.807	4	109.1868	0.563	6	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H){1|C<4>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.7175	0.450	2	109.1868	0.563	6	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.4365	0.559	2	109.4365	0.313	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.4105	0.013	2	109.4105	0.000	2	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.5465	0.189	2	109.5830	0.124	4	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H){1|C<4>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.6195	0.575	2	109.5830	0.124	4	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	110.4430	0.000	1	110.4430	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.6716	0.333	8	109.6716	0.111	8	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]CH)(N[5]C[5]C)(CH3)(H){1|S<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	103.9890	0.000	1	103.9890	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]CH)(N[5]C[5]H)(CH3)(H){1|S<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	104.3250	0.000	1	104.3250	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CH3)(H){1|O<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.8390	0.000	1	108.8390	0.000	1	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H){1|N<2>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.1810	0.000	1	105.6010	9.782	3	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H){1|S<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	103.8110	0.583	2	105.6010	9.782	3	109.0267	1.855	171	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHI)(H)	C(C[5]C[5]N[5]H)(H)2(I)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHI)(H){1|C<2>,1|H<1>,2|C<3>}	C(C[5]C[5]N[5]H)(H)2(I)	H(C[5]C[5]N[5]C)	108.2752	1.225	8	108.2752	1.502	8	108.6184	1.549	11	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H)	C(C[5]C[5]N[5]H)(H)2(I)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(H)2(I)	H(C[5]C[5]N[5]C)	110.1030	0.000	1	110.0360	0.009	2	108.6184	1.549	11	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H)	C(C[5]C[5]N[5]H)(H)2(I)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H){4|H<1>}	C(C[5]C[5]N[5]H)(H)2(I)	H(C[5]C[5]N[5]C)	109.9690	0.000	1	110.0360	0.009	2	108.6184	1.549	11	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CHHI)(H)	C(C[5]C[5]N[5]H)(H)2(I)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CHHI)(H){1|C<4>}	C(C[5]C[5]N[5]H)(H)2(I)	H(C[5]C[5]N[5]C)	108.5280	0.000	1	108.5280	0.000	1	108.6184	1.549	11	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(CH3)(H){4|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	109.7165	0.469	2	109.7165	0.220	2	109.8637	0.175	3	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5]Re)(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5]Re)(CH3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	H(C[5]C[5]O[5]C)	110.1580	0.000	1	110.1580	0.000	1	109.8637	0.175	3	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:P[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]C[5]C)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](C[5]C[5]HH)(P[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.2350	0.874	2	107.2350	0.764	2	107.2350	0.764	2	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]B[5,6]HH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]B[5,6]HH)(C[5]O[5]O)(CH3)(H){2|C<4>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.7210	0.000	1	109.7210	0.000	1	108.7905	1.732	2	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:1:1:1:	4:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5]Ga[5]CH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](N[5]Ga[5]CH)(C[5]O[5]O)(CH3)(H){2|O<2>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	107.8600	0.000	1	107.8600	0.000	1	108.7905	1.732	2	108.6726	2.818	531	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[3,5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(CHHO)(H)	C(C[5]C[3,5,5]N[5]H)(OH)(H)2	H(C[5]C[3,5,5]N[5]C)	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(CHHO)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C(C[5]C[3,5,5]N[5]H)(OH)(H)2	H(C[5]C[3,5,5]N[5]C)	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHHO)(H)	C(C[5]C[3,5]N[5]H)(OC)(H)2	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHHO)(H){3|H<1>}	C(C[5]C[3,5]N[5]H)(OC)(H)2	H(C[5]C[3,5]N[5]C)	109.4310	0.516	2	109.4310	0.266	2	109.4310	0.266	2	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[4,5]-4:N[5,5]-3:C-4:H-1:	C[5]-4:Se-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5,5]C[5,5]O[5])(CSeHH)(H)	C(C[5]C[4,5]N[5,5]H)(SeC[6a])(H)2	H(C[5]C[4,5]N[5,5]C)	C[5](C[4,5]C[4,5]C[4]H)(N[5,5]C[5,5]O[5])(CSeHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[4,5]N[5,5]H)(SeC[6a])(H)2	H(C[5]C[4,5]N[5,5]C)	110.5480	0.041	2	110.5480	0.002	2	110.5480	0.002	2	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5,6]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H)	C(C[5]C[5,5]C[5,6]H)(OC)(H)2	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5,6]H)(OC)(H)2	H(C[5]C[5,5]C[5,6]C)	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(CHHO)(H)	C(C[5]C[5,5]C[5]H)(OC)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(CHHO)(H){2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]H)(OC)(H)2	H(C[5]C[5,5]C[5]C)	107.1190	0.000	1	107.1190	0.000	1	107.1190	0.000	1	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]O[5])(CHHO)(H)	C(C[5]C[5,5]N[5,5]H)(OC)(H)2	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]O[5])(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]N[5,5]H)(OC)(H)2	H(C[5]C[5,5]N[5,5]C)	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5,5]N[5]H)(OH)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CHHO)(H){1|C<3>,1|O<1>,2|C<4>}	C(C[5]C[5,5]N[5]H)(OH)(H)2	H(C[5]C[5,5]N[5]C)	109.5510	0.124	2	109.5510	0.015	2	109.5510	0.015	2	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H)	C(C[5]C[5,6,6]C[5]H)(OC)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H){5|C<4>,5|H<1>}	C(C[5]C[5,6,6]C[5]H)(OC)(H)2	H(C[5]C[5,6,6]C[5]C)	108.9165	0.016	2	108.9165	0.000	2	108.9165	0.000	2	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	109.1050	0.000	1	109.1050	0.000	1	108.8332	1.733	4	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	108.4470	0.000	1	108.4470	0.000	1	108.8332	1.733	4	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	107.3140	0.000	1	107.3140	0.000	1	108.8332	1.733	4	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H){2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	110.4670	0.000	1	110.4670	0.000	1	108.8332	1.733	4	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CCHH)(H)	C(C[5]C[5]2H)(CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CCHH)(H){1|C<4>,2|C<3>}	C(C[5]C[5]2H)(CC)(H)2	H(C[5]C[5]2C)	107.7330	0.000	1	107.7330	0.000	1	107.9780	0.120	2	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CN)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CN)(H)2	H(C[5]C[5]2C)	108.2230	0.000	1	108.2230	0.000	1	107.9780	0.120	2	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H)	C(C[5]C[5]2H)(OSi)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2H)(OSi)(H)2	H(C[5]C[5]2C)	108.2220	0.873	2	108.2220	0.761	2	108.7634	1.172	21	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHHO)(H){1|C<3>,3|H<1>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	108.2290	0.000	1	108.2290	0.000	1	108.7634	1.172	21	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHO)(H){3|H<1>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	106.5000	0.000	1	106.5000	0.000	1	108.7634	1.172	21	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H){1|O<1>,2|C<4>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	108.8030	0.000	1	108.8030	0.000	1	108.7634	1.172	21	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	108.2725	0.384	4	108.1576	0.176	5	108.7634	1.172	21	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){2|H<1>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	107.6980	0.000	1	108.1576	0.176	5	108.7634	1.172	21	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	C(C[5]C[5]2H)(OO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(OO)(H)2	H(C[5]C[5]2C)	106.8680	0.000	1	106.8680	0.000	1	108.7634	1.172	21	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(H){4|H<1>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	109.4720	0.000	1	109.4720	0.000	1	108.7634	1.172	21	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|N<3>,2|H<1>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	110.2940	0.000	1	110.2940	0.000	1	108.7634	1.172	21	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CHHO)(H){1|H<1>,3|C<3>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	109.1200	0.000	1	109.1200	0.000	1	108.7634	1.172	21	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	109.4630	1.022	2	109.4630	1.045	2	108.7634	1.172	21	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	110.0230	0.000	2	110.0230	0.000	2	108.7634	1.172	21	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CHHO)(H){1|C<4>,4|C<3>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	108.9880	0.000	1	108.9880	0.000	1	108.7634	1.172	21	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OC[6a])(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OC[6a])(H)2	H(C[5]C[5]2C)	109.7765	0.525	2	109.7765	0.276	2	108.7634	1.172	21	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H)	C(C[5]C[5]2H)(SC[6a])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(SC[6a])(H)2	H(C[5]C[5]2C)	107.1130	0.252	2	107.7427	1.221	3	107.7427	1.221	3	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H)	C(C[5]C[5]2H)(SC[6a])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(SC[6a])(H)2	H(C[5]C[5]2C)	109.0020	0.000	1	107.7427	1.221	3	107.7427	1.221	3	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(CC)(H)2	H(C[5]C[5]N[5]C)	109.3110	0.000	1	109.3110	0.000	1	109.3110	0.000	1	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H)	C(C[5]C[5]N[5]H)(NS)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H){2|C<3>}	C(C[5]C[5]N[5]H)(NS)(H)2	H(C[5]C[5]N[5]C)	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.7840	0.000	1	109.7840	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(CHHO)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	110.1900	0.000	1	110.1900	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	107.7750	0.000	1	107.7750	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H){2|C<3>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	110.5145	2.739	2	110.5145	7.500	2	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CHHO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.5190	0.000	1	109.5190	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]H)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	109.7245	0.364	2	109.7245	0.133	2	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHO)(H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	105.0610	0.000	1	105.0610	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	107.1515	0.053	2	109.5563	1.178	16	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	109.8998	0.585	14	109.5563	1.178	16	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC[6a])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OC[6a])(H)2	H(C[5]C[5]N[5]C)	109.2560	1.087	3	109.2560	1.181	3	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.4017	0.142	3	109.9808	0.736	8	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.7460	0.000	1	109.9808	0.736	8	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	110.4737	1.013	4	109.9808	0.736	8	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	109.8367	0.720	9	109.8367	0.519	9	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	110.4795	0.158	2	110.4795	0.025	2	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	C(C[5]C[5]N[5]H)(ON[6])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(ON[6])(H)2	H(C[5]C[5]N[5]C)	109.9060	0.000	1	109.9060	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	C(C[5]C[5]N[5]H)(OSi)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|Br<1>,1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(OSi)(H)2	H(C[5]C[5]N[5]C)	110.0270	0.000	1	110.0270	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]H)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]H)(CHHO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	106.6960	0.000	1	106.6960	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.2110	0.430	2	109.2110	0.185	2	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	109.9900	0.000	1	109.9900	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.5150	0.000	1	108.2030	1.897	9	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	108.8990	0.816	2	108.2030	1.897	9	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	106.9540	0.000	1	108.2030	1.897	9	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	107.9120	1.568	5	108.2030	1.897	9	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.1045	0.042	2	109.3013	0.094	4	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.4980	0.354	2	109.3013	0.094	4	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SiC)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OS)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]SiC)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(OS)(H)2	H(C[5]C[5]N[5]C)	104.9040	0.000	1	104.9040	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H){1|H<1>,5|C<3>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	110.0860	0.000	1	110.0860	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H){1|H<1>,1|N<2>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	109.4060	0.000	1	109.4450	0.003	2	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H){3|C<3>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	109.4840	0.000	1	109.4450	0.003	2	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	109.5180	0.000	1	109.5180	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CHHO)(H){1|O<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.1090	0.000	1	109.1090	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	110.0060	0.000	1	110.0060	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHHO)(H){1|O<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.8000	0.000	1	109.8000	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	108.9360	0.000	1	108.9360	0.000	1	109.3351	1.721	75	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H)	C(C[5]C[5]N[5]H)(SC[5a])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H){4|H<1>}	C(C[5]C[5]N[5]H)(SC[5a])(H)2	H(C[5]C[5]N[5]C)	108.8050	0.000	1	108.8050	0.000	1	109.4318	0.567	4	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H)	C(C[5]C[5]N[5]H)(SC[6a])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H){4|H<1>}	C(C[5]C[5]N[5]H)(SC[6a])(H)2	H(C[5]C[5]N[5]C)	110.1370	0.000	1	110.1370	0.000	1	109.4318	0.567	4	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Os)(CHHS)(H)	C(C[5]C[5]N[5]H)(SC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Os)(CHHS)(H){1|C<3>}	C(C[5]C[5]N[5]H)(SC)(H)2	H(C[5]C[5]N[5]C)	108.7570	0.000	1	108.7570	0.000	1	109.4318	0.567	4	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHS)(H)	C(C[5]C[5]N[5]H)(SS)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHS)(H){2|H<1>}	C(C[5]C[5]N[5]H)(SS)(H)2	H(C[5]C[5]N[5]C)	110.0280	0.000	1	110.0280	0.000	1	109.4318	0.567	4	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:S[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5]O)(CHHO)(H)	C(C[5]C[5]S[5]H)(OH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HO)(S[5]C[5]O)(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]S[5]H)(OH)(H)2	H(C[5]C[5]S[5]C)	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:1:1:	4:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	109.8340	1.592	2	109.8340	2.536	2	109.8340	2.536	2	109.1681	1.541	126	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-2:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H)	C(C[5]C[5]N[5]H)(CC)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H){2|C<4>}	C(C[5]C[5]N[5]H)(CC)(OH)(H)	H(C[5]C[5]N[5]C)	109.8775	0.091	2	109.8775	0.008	2	109.8775	0.008	2	109.8775	0.008	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCS)(H)	C(C[5]C[5]N[5]H)(SC[6a])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCS)(H){4|H<1>}	C(C[5]C[5]N[5]H)(SC[6a])(CH3)2	H(C[5]C[5]N[5]C)	109.2430	0.000	1	109.2430	0.000	1	108.3523	0.604	3	108.3523	0.604	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCS)(H)	C(C[5]C[5]N[5]H)(SC[6a])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCS)(H){4|H<1>}	C(C[5]C[5]N[5]H)(SC[6a])(CH3)2	H(C[5]C[5]N[5]C)	107.9070	0.137	2	107.9070	0.019	2	108.3523	0.604	3	108.3523	0.604	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	B[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](B[5,5]O[5]3)(N[5]C[5]C)(CCHH)(H)	C(C[5]B[5,5]N[5]H)(COO)(H)2	H(C[5]B[5,5]N[5]C)	C[5](B[5,5]O[5]3)(N[5]C[5]C)(CCHH)(H){1|C<3>,2|C<4>}	C(C[5]B[5,5]N[5]H)(COO)(H)2	H(C[5]B[5,5]N[5]C)	108.8300	0.000	1	108.8300	0.000	1	108.8300	0.000	1	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[3x5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H)	C(C[5]C[3x5,6]N[5]H)(CCH)(H)2	H(C[5]C[3x5,6]N[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[3x5,6]N[5]H)(CCH)(H)2	H(C[5]C[3x5,6]N[5]C)	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]O)(CCHH)(H)	C(C[5]C[5,5,6]C[5]H)(CCH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]O)(CCHH)(H){3|H<1>,4|C<4>}	C(C[5]C[5,5,6]C[5]H)(CCH)(H)2	H(C[5]C[5,5,6]C[5]C)	110.3780	0.112	2	110.3780	0.012	2	109.9097	0.664	3	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCHH)(H)	C(C[5]C[5,5,6]C[5]H)(CHN)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,5,6]C[5]H)(CHN)(H)2	H(C[5]C[5,5,6]C[5]C)	108.9730	0.000	1	108.9730	0.000	1	109.9097	0.664	3	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	H(C[5]C[5,6a]C[5,5]C)	106.4810	0.000	1	106.4810	0.000	1	107.8647	1.035	6	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CNO)(H)2	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5,5]H)(CNO)(H)2	H(C[5]C[5,6a]C[5,5]C)	107.6370	0.000	1	107.6370	0.000	1	107.8647	1.035	6	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	H(C[5]C[5,6a]C[5,5]C)	108.8925	0.996	2	108.8925	0.993	2	107.8647	1.035	6	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	H(C[5]C[5,6a]C[5,5]C)	107.6425	0.049	2	107.6425	0.002	2	107.8647	1.035	6	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CNO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCHH)(H){2|C<4>,4|H<1>}	C(C[5]C[5,5]C[5]H)(CNO)(H)2	H(C[5]C[5,5]C[5]C)	108.4525	0.064	2	108.4525	0.004	2	108.2523	0.122	3	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC[5a]O)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5,5]C[5]H)(CC[5a]O)(H)2	H(C[5]C[5,5]C[5]C)	107.8520	0.000	1	107.8520	0.000	1	108.2523	0.122	3	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]C[5]C)	108.5680	0.000	1	108.5680	0.000	1	107.6887	2.039	3	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2S[5])(C[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]C[5]C)	108.4570	0.000	1	108.4570	0.000	1	107.6887	2.039	3	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(CC[6a]HH)(H)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(CC[6a]HH)(H){1|N<2>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]C[5]C)	106.0410	0.000	1	106.0410	0.000	1	107.6887	2.039	3	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5,5]N[5]H)(COO)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[5]C[5,5]N[5]H)(COO)(H)2	H(C[5]C[5,5]N[5]C)	107.4467	0.155	3	107.4467	0.024	3	108.4227	1.171	7	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5,5]N[5]H)(CNO)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,5]N[5]H)(CNO)(H)2	H(C[5]C[5,5]N[5]C)	108.7240	0.000	1	108.7240	0.000	1	108.4227	1.171	7	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5,5]N[5]H)(CC[6a]O)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[5,5]N[5]H)(CC[6a]O)(H)2	H(C[5]C[5,5]N[5]C)	108.2430	0.000	1	108.2430	0.000	1	108.4227	1.171	7	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,5]N[5]H)(COO)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(CCHH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]N[5]H)(COO)(H)2	H(C[5]C[5,5]N[5]C)	109.8260	0.240	2	109.8260	0.058	2	108.4227	1.171	7	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H)	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]N[5]C)	108.5770	0.000	1	108.5770	0.000	1	109.1330	0.262	6	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]N[5]C)	108.5420	0.000	1	108.5420	0.000	1	109.1330	0.262	6	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(CC[6a]HH)(H)	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(CC[6a]HH)(H){3|C<4>,3|H<1>}	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]N[5]C)	109.4750	0.000	1	109.4750	0.000	1	109.1330	0.262	6	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CC[6a]HH)(H)	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]N[5]C)	109.6305	0.035	2	109.6305	0.001	2	109.1330	0.262	6	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]S)(CC[6a]HH)(H)	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(CC[6a]HH)(H){1|O<1>,2|C<4>,6|H<1>}	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]N[5]C)	108.9430	0.000	1	108.9430	0.000	1	109.1330	0.262	6	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CHHN)(H)	C(C[5]C[5,5]N[5]H)(NCC)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CHHN)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]N[5]H)(NCC)(H)2	H(C[5]C[5,5]N[5]C)	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCH)(H)2	H(C[5]C[5,6]C[5]C)	107.4080	0.000	1	107.4080	0.000	1	108.1982	1.641	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(CCH)(H)2	H(C[5]C[5,6]C[5]C)	106.5190	0.000	1	106.5190	0.000	1	108.1982	1.641	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CCH)(H)2	H(C[5]C[5,6]C[5]C)	108.9810	0.000	1	108.9810	0.000	1	108.1982	1.641	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(COO)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(COO)(H)2	H(C[5]C[5,6]C[5]C)	108.0380	0.000	1	108.0380	0.000	1	108.1982	1.641	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCO)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CCO)(H)2	H(C[5]C[5,6]C[5]C)	107.0820	0.000	1	107.0820	0.000	1	108.1982	1.641	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,6]C[5]C)	107.6950	0.000	1	107.6950	0.000	1	108.1982	1.641	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(COO)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(COO)(H)2	H(C[5]C[5,6]C[5]C)	107.8280	0.000	1	107.8280	0.000	1	108.1982	1.641	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[5]C[5,6]C[5]H)(CCH)(H)2	H(C[5]C[5,6]C[5]C)	110.2800	0.000	1	110.2800	0.000	1	108.1982	1.641	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(COO)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5,6]C[5]H)(COO)(H)2	H(C[5]C[5,6]C[5]C)	109.9530	0.000	1	109.9530	0.000	1	108.1982	1.641	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	108.5250	0.000	2	108.5250	0.000	2	108.5250	0.000	2	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(CHHN)(H)	C(C[5]C[5,6]C[5]H)(NC[6a]C)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(CHHN)(H){2|C<3>}	C(C[5]C[5,6]C[5]H)(NC[6a]C)(H)2	H(C[5]C[5,6]C[5]C)	111.0080	0.320	2	111.0080	0.102	2	111.0080	0.102	2	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5,6]N[5]H)(CC[6]O)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[5]C[5,6]N[5]H)(CC[6]O)(H)2	H(C[5]C[5,6]N[5]C)	109.1670	0.000	1	109.1670	0.000	1	110.0715	1.636	2	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]S)(CCHH)(H)	C(C[5]C[5,6]N[5]H)(COO)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]S)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6]N[5]H)(COO)(H)2	H(C[5]C[5,6]N[5]C)	110.9760	0.000	1	110.9760	0.000	1	110.0715	1.636	2	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	108.9110	0.000	1	108.9110	0.000	1	109.2485	0.610	13	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	110.3470	0.218	2	109.6720	1.391	3	109.2485	0.610	13	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	108.3220	0.000	1	109.6720	1.391	3	109.2485	0.610	13	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	109.1520	0.000	1	108.8215	0.244	4	109.2485	0.610	13	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>,3|C<4>}	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	108.3920	0.000	1	108.8215	0.244	4	109.2485	0.610	13	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	108.4060	0.000	1	108.8215	0.244	4	109.2485	0.610	13	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,4|C<4>}	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	109.3360	0.000	1	108.8215	0.244	4	109.2485	0.610	13	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]N[5]C)	109.4034	0.759	5	109.4034	0.576	5	109.2485	0.610	13	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|C<4>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	107.9090	0.000	1	107.9090	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	106.8830	0.000	1	106.8830	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	108.9350	0.000	1	108.7760	0.051	2	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	108.6170	0.000	1	108.7760	0.051	2	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	108.2550	0.085	2	108.2550	0.007	2	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	100.1260	0.000	1	100.1260	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CC[5,6]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|O<2>}	C(C[5]C[5]2H)(CC[5,6]O)(H)2	H(C[5]C[5]2C)	111.8670	0.000	1	111.8670	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){2|H<1>}	C(C[5]C[5]2H)(CCC)(H)2	H(C[5]C[5]2C)	108.5020	0.000	1	108.5020	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){1|H<1>,1|O<2>}	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	107.7483	0.199	3	107.7483	0.039	3	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]2H)(CCC)(H)2	H(C[5]C[5]2C)	106.4987	1.091	3	106.4987	1.191	3	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	110.2740	0.000	1	110.2740	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	110.3100	0.000	1	110.3100	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CHN)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(CHN)(H)2	H(C[5]C[5]2C)	109.0850	0.000	1	109.0850	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCHH)(H){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	110.7590	0.000	1	110.7590	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	106.3760	0.000	1	106.3760	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCHH)(H){1|Si<4>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	110.0720	0.055	2	110.0720	0.003	2	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	107.3670	0.000	1	107.3670	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	108.3770	0.000	1	108.3770	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	C(C[5]C[5]2H)(CCC)(H)2	H(C[5]C[5]2C)	107.0580	0.000	1	107.0580	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){1|N<3>,3|C<3>}	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	107.4670	0.000	1	108.5330	2.273	2	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	109.5990	0.000	1	108.5330	2.273	2	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	109.4640	0.000	1	109.4640	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|S<4>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	110.1420	0.000	1	110.1420	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	107.8440	0.000	1	107.8440	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	109.9600	0.000	1	109.9600	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){2|H<1>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	110.7450	0.000	1	110.7450	0.000	1	108.3457	4.464	32	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[5]C)(C[5]C[3,5]C)(CC[5]HH)(H)	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3,5]C[5]C)(C[5]C[3,5]C)(CC[5]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	H(C[5]C[5]2C)	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)(H)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)(H){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	H(C[5]C[5]2C)	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H)	C(C[5]C[5]2H)(NCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(NCH)(H)2	H(C[5]C[5]2C)	108.5410	0.076	2	108.5410	0.006	2	107.8401	0.746	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H)	C(C[5]C[5]2H)(NC[6]H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(NC[6]H)(H)2	H(C[5]C[5]2C)	108.4120	0.000	1	108.4120	0.000	1	107.8401	0.746	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H)	C(C[5]C[5]2H)(NC[6a]H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(NC[6a]H)(H)2	H(C[5]C[5]2C)	106.6790	0.532	2	106.6790	0.283	2	107.8401	0.746	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]H)(CHHN)(H)	C(C[5]C[5]2H)(NCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CHHN)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(NCH)(H)2	H(C[5]C[5]2C)	107.3470	0.000	1	107.3470	0.000	1	107.8401	0.746	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H)	C(C[5]C[5]2H)(NCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(NCH)(H)2	H(C[5]C[5]2C)	108.8440	0.000	1	108.1207	0.597	3	107.8401	0.746	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H)	C(C[5]C[5]2H)(NCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H){1|Si<4>,2|H<1>}	C(C[5]C[5]2H)(NCH)(H)2	H(C[5]C[5]2C)	107.7590	0.639	2	108.1207	0.597	3	107.8401	0.746	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(CN[5]HH)(H)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(CN[5]HH)(H){4|C<3>}	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	H(C[5]C[5]2C)	108.9040	0.000	1	108.9040	0.000	1	108.6876	0.581	5	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5]HH)(H)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5]HH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	H(C[5]C[5]2C)	109.0237	0.468	3	109.0237	0.219	3	108.6876	0.581	5	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]H)(CN[5]HH)(H)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CN[5]HH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	H(C[5]C[5]2C)	107.4630	0.000	1	107.4630	0.000	1	108.6876	0.581	5	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	H(C[5]C[5]2C)	107.4300	0.000	1	108.7788	0.396	16	108.7788	0.396	16	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	H(C[5]C[5]2C)	108.8687	0.534	15	108.7788	0.396	16	108.7788	0.396	16	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:B-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CBHH)(H)	C(C[5]C[5]N[5]H)(BOO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CBHH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(BOO)(H)2	H(C[5]C[5]N[5]C)	109.8880	0.000	1	109.8880	0.000	1	109.8880	0.000	1	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:F-1:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H)	C(C[5]C[5]N[5]H)(CNO)(F)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H){1|O<1>,4|C<3>}	C(C[5]C[5]N[5]H)(CNO)(F)(H)	H(C[5]C[5]N[5]C)	109.1423	1.135	4	109.1423	1.289	4	109.1423	1.289	4	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(CCH)(H)2	H(C[5]C[5]N[5]C)	108.3750	0.589	3	108.3750	0.347	3	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	109.8620	0.052	2	109.8620	0.003	2	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(CCO)(H)2	H(C[5]C[5]N[5]C)	109.5339	0.272	10	109.5339	0.074	10	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(CCH)(H)2	H(C[5]C[5]N[5]C)	110.5615	0.545	2	110.5615	0.297	2	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CNO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(CNO)(H)2	H(C[5]C[5]N[5]C)	110.9700	0.812	2	110.9700	0.659	2	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(CCO)(H)2	H(C[5]C[5]N[5]C)	109.7530	0.000	1	109.7530	0.000	1	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	109.4250	0.000	1	109.4250	0.000	1	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(CCH)(H)2	H(C[5]C[5]N[5]C)	108.6640	0.000	1	108.6640	0.000	1	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CNO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(CNO)(H)2	H(C[5]C[5]N[5]C)	109.1230	0.000	1	109.3975	0.151	2	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CNO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(CNO)(H)2	H(C[5]C[5]N[5]C)	109.6720	0.000	1	109.3975	0.151	2	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CN[5]O)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(CN[5]O)(H)2	H(C[5]C[5]N[5]C)	106.2590	2.134	2	106.2590	4.554	2	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	109.8020	0.000	1	109.8020	0.000	1	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	H(C[5]C[5]N[5]C)	109.2795	0.221	2	109.2795	0.049	2	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CCH)(H)2	H(C[5]C[5]N[5]C)	109.5340	0.000	1	109.5340	0.000	1	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	H(C[5]C[5]N[5]C)	109.8250	0.000	1	109.8250	0.000	1	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	109.6880	0.000	1	109.6880	0.000	1	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	110.1000	0.000	1	110.1000	0.000	1	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC[6a]C)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]C)(H)2	H(C[5]C[5]N[5]C)	109.3870	0.000	1	109.3870	0.000	1	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CNO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H){1|O<1>,4|C<3>}	C(C[5]C[5]N[5]H)(CNO)(H)2	H(C[5]C[5]N[5]C)	110.1390	0.749	4	110.1390	0.562	4	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(H)	C(C[5]C[5]N[5]H)(CNO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(H){5|C<3>}	C(C[5]C[5]N[5]H)(CNO)(H)2	H(C[5]C[5]N[5]C)	111.0570	0.000	1	111.0570	0.000	1	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(CCHH)(H){1|O<1>,3|C<3>}	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	110.1745	0.064	2	110.1745	0.004	2	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(COO)(H)2	H(C[5]C[5]N[5]C)	111.4580	0.000	1	111.4580	0.000	1	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	H(C[5]C[5]N[5]C)	111.1050	1.042	2	111.1050	1.086	2	109.6575	1.299	44	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]C[5]C)(CC[5]HH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	H(C[5]C[5]N[5]C)	109.5390	0.000	1	109.5390	0.000	1	109.5390	0.000	1	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]FH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(F)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]FH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(F)(H)	H(C[5]C[5]N[5]C)	109.2580	0.000	1	109.2580	0.000	1	109.2580	0.000	1	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]O)(CC[6a]HH)(H){2|C<3>,2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.9650	0.000	1	109.9650	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]N[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]N[5]C)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.0970	0.000	1	108.0970	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.6970	0.083	2	108.6970	0.007	2	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.9000	0.000	1	108.9000	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]N[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]N[5]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.7670	0.000	1	109.7670	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.7720	0.000	1	109.7720	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.1780	0.646	2	109.1780	0.418	2	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]S)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]S)(CC[6a]HH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.1320	0.000	1	109.1320	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[6a]HH)(H){2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	110.2580	0.000	1	110.2580	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.6630	0.720	2	109.6932	0.387	5	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	110.1450	0.000	1	109.6932	0.387	5	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.4975	0.865	2	109.6932	0.387	5	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	101.5080	0.000	1	101.5080	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.4330	0.000	1	108.4330	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]N[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]N[5]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.7980	0.000	1	109.7980	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]RhH)(N[5]C[5]P)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]RhH)(N[5]C[5]P)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.7500	0.000	1	109.7500	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H){1|H<1>,5|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	110.3640	0.000	1	110.3640	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.0280	0.000	1	109.0280	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>,3|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.7855	0.182	2	109.7855	0.033	2	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(CC[6a]HH)(H){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.6340	0.025	2	108.6340	0.001	2	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|Pd<4>,1|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	110.2940	0.000	1	110.2940	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CC[6a]HH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.2230	0.132	2	109.2230	0.017	2	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.6053	0.335	3	109.6053	0.112	3	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.8220	0.000	2	109.5930	0.157	3	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.1350	0.000	1	109.5930	0.157	3	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.4093	0.333	3	108.9712	0.415	5	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.3140	0.000	2	108.9712	0.415	5	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	110.0100	0.482	3	110.0100	0.232	3	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]2)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.5640	0.000	1	109.5640	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	110.4480	0.000	1	109.5494	4.231	65	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.8130	0.261	3	109.5494	4.231	65	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.0900	1.022	2	109.5494	4.231	65	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.5120	2.161	58	109.5494	4.231	65	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	110.9490	0.000	1	109.5494	4.231	65	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC[6a]HH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.8030	0.431	3	108.8030	0.186	3	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC[6a]HH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.5150	0.000	1	109.5150	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.6659	0.574	8	109.6659	0.330	8	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC[6a]HH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.7640	0.160	2	109.7640	0.026	2	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]N)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]N)(CC[6a]HH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	111.2710	0.000	1	111.2710	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.5323	0.707	3	107.8942	5.741	5	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	105.4370	1.356	2	107.8942	5.741	5	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]HH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.8240	0.846	2	109.8240	0.715	2	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	110.3520	0.000	1	110.3520	0.000	1	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|S<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.2990	0.016	2	108.2990	0.000	2	109.3839	2.991	134	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H)	C(C[5]C[5]N[5]H)(NCS)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5]N[5]H)(NCS)(H)2	H(C[5]C[5]N[5]C)	109.4990	0.000	1	109.6470	0.044	2	109.7160	0.739	15	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H)	C(C[5]C[5]N[5]H)(NCS)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H){1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(NCS)(H)2	H(C[5]C[5]N[5]C)	109.7950	0.000	1	109.6470	0.044	2	109.7160	0.739	15	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H)	C(C[5]C[5]N[5]H)(NHS)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H){2|C<3>}	C(C[5]C[5]N[5]H)(NHS)(H)2	H(C[5]C[5]N[5]C)	110.8230	0.185	2	110.8230	0.034	2	109.7160	0.739	15	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]Cl2)(N[5]C[5]S)(CHHN)(H)	C(C[5]C[5]N[5]H)(NOO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]Cl2)(N[5]C[5]S)(CHHN)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(NOO)(H)2	H(C[5]C[5]N[5]C)	109.2675	0.332	2	109.2675	0.110	2	109.7160	0.739	15	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H)	C(C[5]C[5]N[5]H)(NCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H){4|H<1>}	C(C[5]C[5]N[5]H)(NCH)(H)2	H(C[5]C[5]N[5]C)	110.4290	0.033	2	110.4290	0.001	2	109.7160	0.739	15	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H)	C(C[5]C[5]N[5]H)(NHO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H){4|H<1>}	C(C[5]C[5]N[5]H)(NHO)(H)2	H(C[5]C[5]N[5]C)	110.2230	0.000	1	110.2230	0.000	1	109.7160	0.739	15	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHN)(H)	C(C[5]C[5]N[5]H)(NCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHN)(H){1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5]N[5]H)(NCH)(H)2	H(C[5]C[5]N[5]C)	109.5270	0.000	1	109.5270	0.000	1	109.7160	0.739	15	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CHHN)(H)	C(C[5]C[5]N[5]H)(NHS)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CHHN)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(NHS)(H)2	H(C[5]C[5]N[5]C)	107.3040	0.000	1	107.3040	0.000	1	109.7160	0.739	15	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H)	C(C[5]C[5]N[5]H)(NCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(NCH)(H)2	H(C[5]C[5]N[5]C)	109.5883	0.181	4	109.5883	0.033	4	109.7160	0.739	15	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	C(C[5]C[5]N[5]H)(OPdC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OPdC)(H)2	H(C[5]C[5]N[5]C)	109.6165	0.091	2	109.6165	0.008	2	109.4319	0.090	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H)	C(C[5]C[5]N[5]H)(OLiC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OLiC)(H)2	H(C[5]C[5]N[5]C)	109.6437	0.286	3	109.6437	0.082	3	109.4319	0.090	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CHHO)(H)	C(C[5]C[5]N[5]H)(OMgC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CHHO)(H){1|C<3>}	C(C[5]C[5]N[5]H)(OMgC)(H)2	H(C[5]C[5]N[5]C)	109.1808	0.175	4	109.1808	0.031	4	109.4319	0.090	9	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:P-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHP)(H)	C(C[5]C[5]N[5]H)(PC[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHP)(H){4|H<1>}	C(C[5]C[5]N[5]H)(PC[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:O-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Al)(CHHO)(H)	C(C[5]C[5]O[5]H)(OAl2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5]Al)(CHHO)(H){4|H<1>}	C(C[5]C[5]O[5]H)(OAl2)(H)2	H(C[5]C[5]O[5]C)	105.2512	2.898	4	105.2512	8.399	4	107.1258	13.637	6	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:O-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(CHHO)(H)	C(C[5]C[5]O[5]H)(OMnH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(CHHO)(H){4|H<1>}	C(C[5]C[5]O[5]H)(OMnH)(H)2	H(C[5]C[5]O[5]C)	110.2350	0.000	1	110.2350	0.000	1	107.1258	13.637	6	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:O-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(CHHO)(H)	C(C[5]C[5]O[5]H)(ONiH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(CHHO)(H){4|H<1>}	C(C[5]C[5]O[5]H)(ONiH)(H)2	H(C[5]C[5]O[5]C)	111.5150	0.000	1	111.5150	0.000	1	107.1258	13.637	6	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCO)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CCO)(H)2	H(C[5]C[5]N[5]C)	108.1410	0.000	1	108.1410	0.000	1	108.1410	0.000	1	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]B[5,6a]CC)(C[5]N[5,6a]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]B[5,6a]CC)(C[5]N[5,6a]O)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	107.1220	0.000	1	107.1220	0.000	1	108.9575	0.673	13	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	107.7980	0.000	1	107.7980	0.000	1	108.9575	0.673	13	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.2730	0.000	1	109.2297	0.255	11	108.9575	0.673	13	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:1:1:	4:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H){3|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.2254	0.532	10	109.2297	0.255	11	108.9575	0.673	13	109.1054	2.482	353	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5,5]C[5]H)(CCH)(OC)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[5]C)(CCHO)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5]H)(CCH)(OC)(H)	H(C[5]C[5,5]C[5]C)	107.0400	0.000	1	107.0400	0.000	1	107.0400	0.000	1	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CCH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCH)(OC)(H)	H(C[5]C[5]2C)	109.6630	0.000	1	109.6630	0.000	1	109.6697	0.003	3	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CCO)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	C(C[5]C[5]2H)(CCO)(OC)(H)	H(C[5]C[5]2C)	109.6730	0.075	2	109.6730	0.006	2	109.6697	0.003	3	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHN)(H)	C(C[5]C[5]N[5]H)(COO)(NN)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHN)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(COO)(NN)(H)	H(C[5]C[5]N[5]C)	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CC[6]C)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	C(C[5]C[5]N[5]H)(CC[6]C)(OH)(H)	H(C[5]C[5]N[5]C)	110.5410	0.000	1	110.5410	0.000	1	110.3252	0.137	5	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CC[6a]C)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	C(C[5]C[5]N[5]H)(CC[6a]C)(OC)(H)	H(C[5]C[5]N[5]C)	110.7370	0.000	1	110.7370	0.000	1	110.3252	0.137	5	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CC[6a]C)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	C(C[5]C[5]N[5]H)(CC[6a]C)(OH)(H)	H(C[5]C[5]N[5]C)	110.4740	0.000	1	110.4740	0.000	1	110.3252	0.137	5	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H)	C(C[5]C[5]N[5]H)(CCH)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCH)(OC)(H)	H(C[5]C[5]N[5]C)	109.9370	0.093	2	109.9370	0.009	2	110.3252	0.137	5	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6]-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HO)(H)	C(C[5]C[5]N[5]H)(C[6]C[6]S[6])(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HO)(H){2|C<4>}	C(C[5]C[5]N[5]H)(C[6]C[6]S[6])(OH)(H)	H(C[5]C[5]N[5]C)	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]CH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]CH)(H){1|O<1>,2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC)(H)	H(C[5]C[5]N[5]C)	109.6960	0.000	1	109.6960	0.000	1	109.6960	0.000	1	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]N[5]C)	108.9630	0.000	1	108.9630	0.000	1	109.2479	0.747	23	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	108.0390	0.000	1	108.8285	1.247	2	109.2479	0.747	23	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	109.6180	0.000	1	108.8285	1.247	2	109.2479	0.747	23	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]N[5]C)	109.5600	0.000	1	109.5600	0.000	1	109.2479	0.747	23	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	107.2820	0.004	2	107.2820	0.000	2	109.2479	0.747	23	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]N[5]C)	109.6070	0.000	1	109.6070	0.000	1	109.2479	0.747	23	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]N[5]C)	109.5080	0.143	2	109.5080	0.020	2	109.2479	0.747	23	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	109.0502	0.617	5	109.0502	0.380	5	109.2479	0.747	23	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	109.1150	0.000	1	109.1150	0.000	1	109.2479	0.747	23	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CC[6a]HO)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	109.2080	0.000	1	109.2080	0.000	1	109.2479	0.747	23	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	109.5030	0.000	1	109.5030	0.000	1	109.2479	0.747	23	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]N[5]C)	110.1940	0.000	1	110.1940	0.000	1	109.2479	0.747	23	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	109.4740	0.000	1	109.4740	0.000	1	109.2479	0.747	23	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]N[5]C)	110.7180	0.000	1	110.7180	0.000	1	109.2479	0.747	23	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	109.9573	0.338	3	109.9573	0.114	3	109.2479	0.747	23	109.4401	0.862	35	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]2H)(H)	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]2H)(H){1|O<2>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5,6a]C[5,6]C)	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	107.7965	7.386	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CCCH)(H)	C(C[5]C[5]2H)(COO)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CCCH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(COO)2(H)	H(C[5]C[5]2C)	105.6610	0.000	1	105.6610	0.000	1	106.6080	1.794	2	107.7965	7.386	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(CCCH)(H)	C(C[5]C[5]2H)(COO)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|H<1>}	C(C[5]C[5]2H)(COO)2(H)	H(C[5]C[5]2C)	107.5550	0.000	1	107.5550	0.000	1	106.6080	1.794	2	107.7965	7.386	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHN)(H)	C(C[5]C[5]2H)(CCC)(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHN)(H){3|H<1>}	C(C[5]C[5]2H)(CCC)(NCH)(H)	H(C[5]C[5]2C)	108.4570	0.000	1	108.4570	0.000	1	108.4570	0.000	1	107.7965	7.386	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(COO)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(COO)2(H)	H(C[5]C[5]N[5]C)	105.6100	0.000	1	103.6970	2.837	3	103.6970	2.837	3	107.7965	7.386	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(COO)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(COO)2(H)	H(C[5]C[5]N[5]C)	102.7405	0.429	2	103.6970	2.837	3	103.6970	2.837	3	107.7965	7.386	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHN)(H)	C(C[5]C[5]N[5]H)(COO)(NCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(COO)(NCH)(H)	H(C[5]C[5]N[5]C)	109.6320	0.110	2	109.6320	0.012	2	109.6320	0.012	2	107.7965	7.386	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]2H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]2H)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5]N[5]C)	110.6930	0.000	1	110.6930	0.000	1	110.5643	0.592	3	107.7965	7.386	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2H)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5]N[5]C)	110.5000	1.076	2	110.5000	1.158	2	110.5643	0.592	3	107.7965	7.386	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]HN)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]HN)(H){1|O<1>,2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NCH)(H)	H(C[5]C[5]N[5]C)	108.7680	0.000	1	108.7680	0.000	1	108.7680	0.000	1	107.7965	7.386	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:S[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]O)(CC[6a]2F)(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HH)(S[5]C[5]O)(CC[6a]2F)(H){4|H<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	H(C[5]C[5]S[5]C)	107.2270	0.000	1	107.2270	0.000	1	107.2270	0.000	1	107.7965	7.386	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[6a]2O)(H){2|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	110.3005	0.134	2	110.3005	0.018	2	109.0206	3.828	17	109.0206	3.828	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CC[6a]2O)(H){2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	109.8950	0.000	1	109.8950	0.000	1	109.0206	3.828	17	109.0206	3.828	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]H)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]C[5]H)(CC[6a]2O)(H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	108.1900	0.000	1	108.1900	0.000	1	109.0206	3.828	17	109.0206	3.828	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	109.5803	0.695	8	109.5803	0.483	8	109.0206	3.828	17	109.0206	3.828	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2O)(H){2|F<1>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	H(C[5]C[5]N[5]C)	108.7680	0.322	2	108.7680	0.104	2	109.0206	3.828	17	109.0206	3.828	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CC[6a]2O)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OC)	H(C[5]C[5]N[5]C)	102.1250	0.000	1	102.1250	0.000	1	109.0206	3.828	17	109.0206	3.828	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]P)(CC[6a]2O)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	108.0030	0.000	1	108.0030	0.000	1	109.0206	3.828	17	109.0206	3.828	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	110.3590	0.000	1	110.3590	0.000	1	109.0206	3.828	17	109.0206	3.828	17	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]3)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]3)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	H(C[5]C[5]N[5]C)	108.8770	0.000	1	108.8770	0.000	1	108.9610	0.446	3	108.9610	0.446	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC[6a]3)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC[6a]3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	H(C[5]C[5]N[5]C)	109.0030	0.939	2	109.0030	0.882	2	108.9610	0.446	3	108.9610	0.446	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:B[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CB[5]CH)(H)	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CB[5]CH)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	H(C[5]C[5]2C)	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	107.9387	9.844	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H)	C(C[5]C[5]2H)(CC[5]H)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H){1|O<1>}	C(C[5]C[5]2H)(CC[5]H)(CH3)(H)	H(C[5]C[5]2C)	100.0460	0.000	1	100.0460	0.000	1	100.0460	0.000	1	107.9387	9.844	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6]CH)(H)	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6]CH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	H(C[5]C[5]2C)	108.8610	0.540	2	108.8610	0.292	2	108.8610	0.292	2	107.9387	9.844	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CN[5]O)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(CN[5]O)(CH3)(H)	H(C[5]C[5]N[5]C)	110.5080	0.134	2	110.5080	0.018	2	110.5080	0.018	2	107.9387	9.844	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:F-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]CF)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(F)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]CF)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(F)	H(C[5]C[5]N[5]C)	107.3310	0.000	1	107.3310	0.000	1	107.3310	0.000	1	107.9387	9.844	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CH)(H){1|O<1>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(H)	H(C[5]C[5]N[5]C)	108.5565	0.182	2	108.5565	0.033	2	108.5565	0.033	2	107.9387	9.844	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCFF)(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCFF)(OH)	H(C[5]C[5]N[5]C)	109.0770	0.000	1	109.0770	0.000	1	109.3710	0.173	2	109.3710	0.173	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CBrHH)(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CO)(H){1|O<1>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CBrHH)(OH)	H(C[5]C[5]N[5]C)	109.6650	0.000	1	109.6650	0.000	1	109.3710	0.173	2	109.3710	0.173	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCN)(H)	C(C[5]C[5]2H)(NC[6a]H)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCN)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(NC[6a]H)(CH3)2	H(C[5]C[5]2C)	107.6470	0.000	1	107.6470	0.000	1	107.6470	0.000	1	107.6470	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[3x5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H)	C(C[5]C[3x5,6]N[5]H)(CCHH)(H)2	H(C[5]C[3x5,6]N[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[3x5,6]N[5]H)(CCHH)(H)2	H(C[5]C[3x5,6]N[5]C)	110.3900	0.000	1	110.3900	0.000	1	110.0840	0.444	4	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[3x5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H)	C(C[5]C[3x5,6]N[5]H)(CHHN)(H)2	H(C[5]C[3x5,6]N[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[5]C[3x5,6]N[5]H)(CHHN)(H)2	H(C[5]C[3x5,6]N[5]C)	109.9820	0.777	3	109.9820	0.604	3	110.0840	0.444	4	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	H(C[5]C[4,5]C[5]C)	109.0045	0.607	2	109.0045	0.369	2	109.0045	0.369	2	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,3x6]C[5]H)(CH3)(H)2	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,3x6]C[5]H)(CH3)(H)2	H(C[5]C[5,3x6]C[5]C)	106.0750	0.000	1	106.0750	0.000	1	107.0307	1.248	3	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,3x6]C[5]H)(CCHH)(H)2	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[5]O)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,3x6]C[5]H)(CCHH)(H)2	H(C[5]C[5,3x6]C[5]C)	107.5085	1.061	2	107.5085	1.127	2	107.0307	1.248	3	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,5,6]C[5]H)(CHHO)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCHH)(H){3|C<4>,3|H<1>}	C(C[5]C[5,5,6]C[5]H)(CHHO)(H)2	H(C[5]C[5,5,6]C[5]C)	108.1750	0.000	1	108.1750	0.000	1	108.1750	0.000	1	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5,5,6]N[5]H)(CCCO)(H)2	H(C[5]C[5,5,6]N[5]C)	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(CCHH)(H){3|C<4>,7|H<1>}	C(C[5]C[5,5,6]N[5]H)(CCCO)(H)2	H(C[5]C[5,5,6]N[5]C)	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]ClH)(H)2	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5,5]H)(CC[6a]ClH)(H)2	H(C[5]C[5,6a]C[5,5]C)	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]C)(CCHH)(H){1|Co<6>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	106.3640	0.000	1	106.3640	0.000	1	107.8664	2.179	8	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCHH)(H){2|H<1>,3|C<4>}	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	106.5190	0.000	1	106.5190	0.000	1	107.8664	2.179	8	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>,3|C<4>}	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	108.8860	0.000	1	108.2770	0.742	2	107.8664	2.179	8	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	107.6680	0.000	1	108.2770	0.742	2	107.8664	2.179	8	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC3)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,5]C[5]H)(CC3)(H)2	H(C[5]C[5,5]C[5]C)	107.9135	0.711	2	107.9135	0.505	2	107.8664	2.179	8	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CH3)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]O)(CCHH)(H){1|S<4>,3|C<3>}	C(C[5]C[5,5]C[5]H)(CH3)(H)2	H(C[5]C[5,5]C[5]C)	106.8690	0.000	1	106.8690	0.000	1	107.8664	2.179	8	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CH3)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(CCHH)(H){2|C<4>,4|C<3>}	C(C[5]C[5,5]C[5]H)(CH3)(H)2	H(C[5]C[5,5]C[5]C)	110.7980	0.000	1	110.7980	0.000	1	107.8664	2.179	8	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5]-4:Si-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CSiHH)(H)	C(C[5]C[5,5]N[5,5]H)(SiC[6a]CC)(H)2	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CSiHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[5,5]N[5,5]H)(SiC[6a]CC)(H)2	H(C[5]C[5,5]N[5,5]C)	109.5720	0.000	1	109.5720	0.000	1	109.5720	0.000	1	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5,5]N[5]H)(CCCH)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5,5]N[5]H)(CCCH)(H)2	H(C[5]C[5,5]N[5]C)	108.8670	0.000	1	108.8670	0.000	1	109.8236	0.878	7	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5,5]N[5]H)(CH3)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,5]N[5]H)(CH3)(H)2	H(C[5]C[5,5]N[5]C)	108.4910	0.000	1	108.4910	0.000	1	109.8236	0.878	7	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5,5]N[5]H)(CH3)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5,5]N[5]H)(CH3)(H)2	H(C[5]C[5,5]N[5]C)	109.4200	0.000	1	109.4200	0.000	1	109.8236	0.878	7	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5,5]N[5]H)(CH3)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,5]N[5]H)(CH3)(H)2	H(C[5]C[5,5]N[5]C)	110.6317	0.439	3	110.4968	0.201	4	109.8236	0.878	7	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5,5]N[5]H)(CH3)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H){3|C<4>,3|H<1>}	C(C[5]C[5,5]N[5]H)(CH3)(H)2	H(C[5]C[5,5]N[5]C)	110.0920	0.000	1	110.4968	0.201	4	109.8236	0.878	7	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)(H)	C(C[5]C[5,5]N[5]H)(SC[6a]OO)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5,5]N[5]H)(SC[6a]OO)(H)2	H(C[5]C[5,5]N[5]C)	110.1070	0.412	4	110.1070	0.170	4	110.1070	0.170	4	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6,6]C[5]C)	106.6480	0.000	1	105.4287	1.157	3	105.4287	1.157	3	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H){1|N<4>,3|C<4>,6|H<1>}	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6,6]C[5]C)	104.8190	0.288	2	105.4287	1.157	3	105.4287	1.157	3	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	105.9120	0.000	1	105.9120	0.000	1	106.7338	4.037	17	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]S)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]S)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	105.4070	0.000	1	105.4070	0.000	1	106.7338	4.037	17	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	104.1200	0.000	1	104.1200	0.000	1	106.7338	4.037	17	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	107.0210	0.000	1	107.0210	0.000	1	106.7338	4.037	17	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	105.5640	0.000	1	106.0720	7.512	6	106.7338	4.037	17	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	109.4390	1.162	2	106.0720	7.512	6	106.7338	4.037	17	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	104.2185	0.247	2	106.0720	7.512	6	106.7338	4.037	17	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	103.5530	0.000	1	106.0720	7.512	6	106.7338	4.037	17	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	107.5405	0.317	4	107.5405	0.101	4	106.7338	4.037	17	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CC[6a]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(H){1|Cl<1>,1|S<4>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CC[6a]HH)(H)2	H(C[5]C[5,6]C[5]C)	108.4630	0.000	1	108.4630	0.000	1	106.7338	4.037	17	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]H)(CH3)(H)2	H(C[5]C[5,6]C[5]C)	107.2390	0.000	1	107.2390	0.000	1	106.7338	4.037	17	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	H(C[5]C[5,6]C[5]C)	109.7190	0.000	1	109.7190	0.000	1	106.7338	4.037	17	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	H(C[5]C[5,6]N[5]C)	109.0132	0.217	5	109.0132	0.047	5	109.1670	0.194	27	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5,6]N[5]H)(CCHH)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,6]N[5]H)(CCHH)(H)2	H(C[5]C[5,6]N[5]C)	108.8535	0.438	2	108.8535	0.192	2	109.1670	0.194	27	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	H(C[5]C[5,6]N[5]C)	109.4437	0.092	4	109.1854	0.204	7	109.1670	0.194	27	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	H(C[5]C[5,6]N[5]C)	108.8410	0.537	3	109.1854	0.204	7	109.1670	0.194	27	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]C)(CCHH)(H)	C(C[5]C[5,6]N[5]H)(CC[6]HH)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]N[5]H)(CC[6]HH)(H)2	H(C[5]C[5,6]N[5]C)	109.0930	0.044	2	109.0930	0.002	2	109.1670	0.194	27	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5,6]N[5]H)(CH3)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[5]C[5,6]N[5]H)(CH3)(H)2	H(C[5]C[5,6]N[5]C)	109.0520	0.500	5	109.0520	0.250	5	109.1670	0.194	27	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5,6]N[5]H)(CH3)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5,6]N[5]H)(CH3)(H)2	H(C[5]C[5,6]N[5]C)	109.4987	0.528	6	109.4987	0.279	6	109.1670	0.194	27	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.1172	0.927	8	108.1339	0.755	9	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.2670	0.000	1	108.1339	0.755	9	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[3]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CC[3]HO)(H)2	H(C[5]C[5]2C)	107.4255	0.510	2	107.4255	0.260	2	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]N[5]C)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.2590	0.000	1	107.2590	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	110.1560	0.000	1	110.1560	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]OO)(C[5]C[5,5]H)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]OO)(C[5]C[5,5]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.8490	0.000	1	107.8490	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.6420	0.000	1	107.6420	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CCHH)(H)	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(C[5]C[5]2C)	109.0610	0.000	1	109.0610	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)(H)	C(C[5]C[5]2H)(CF3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(CF3)(H)2	H(C[5]C[5]2C)	108.1220	0.000	1	108.1220	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.3653	0.065	3	107.3653	0.004	3	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)(H)	C(C[5]C[5]2H)(CC[6]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5]2H)(CC[6]CH)(H)2	H(C[5]C[5]2C)	107.6730	0.000	1	107.6730	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(C[5]C[5]2C)	108.1750	0.000	1	108.1750	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.6655	1.539	2	107.9933	1.507	3	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.6490	0.000	1	107.9933	1.507	3	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(C[5]C[5]2C)	106.6320	0.000	1	106.6320	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<5>,1|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	110.4940	0.000	1	109.5151	1.451	18	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<5>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.7300	0.000	1	109.5151	1.451	18	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<6>,1|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	110.2982	0.473	10	109.5151	1.451	18	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<6>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.3443	0.910	6	109.5151	1.451	18	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<2>,2|H<1>}	C(C[5]C[5]2H)(CCCH)(H)2	H(C[5]C[5]2C)	110.6150	0.000	1	110.6150	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.8680	0.000	1	108.8680	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	106.5137	0.479	3	106.5137	0.229	3	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	106.4860	0.000	1	106.4860	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H){1|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	110.9280	0.000	1	110.9280	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H){1|C<3>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	103.9810	0.000	1	103.9810	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	108.6540	0.198	2	108.6540	0.039	2	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCCO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){2|C<4>}	C(C[5]C[5]2H)(CCCO)(H)2	H(C[5]C[5]2C)	108.1990	0.701	2	108.1990	0.492	2	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCCO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CCCO)(H)2	H(C[5]C[5]2C)	108.9700	0.000	1	108.9700	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CHHO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5]2H)(CHHO)(H)2	H(C[5]C[5]2C)	107.6480	0.000	1	107.6480	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){3|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	104.5280	0.000	1	104.5280	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){3|H<1>}	C(C[5]C[5]2H)(CC[6a]HO)(H)2	H(C[5]C[5]2C)	109.3480	0.000	1	109.3480	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	110.0420	0.000	1	110.0420	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.3507	0.425	3	106.7618	1.507	4	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	104.9950	0.000	1	106.7618	1.507	4	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CHHS)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CHHS)(H)2	H(C[5]C[5]2C)	107.7280	0.000	1	107.7280	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H){2|H<1>}	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	108.0275	0.081	2	108.0275	0.007	2	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.5220	0.000	1	108.5220	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	107.6835	0.759	2	107.6835	0.576	2	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	107.8120	0.000	1	107.8120	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]OO)(C[5]C[5]H)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]OO)(C[5]C[5]H)(CCHH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	109.0620	0.000	1	109.0620	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.5550	0.000	1	108.3547	0.714	9	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	106.7060	0.000	1	108.3547	0.714	9	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.7290	0.544	6	108.3547	0.714	9	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|O<1>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.5570	0.000	1	108.3547	0.714	9	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHO)(H)2	H(C[5]C[5]2C)	108.7540	0.000	1	108.7540	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(C[5]C[5]2C)	107.5660	0.000	1	107.5660	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(C[5]C[5]2C)	107.2225	0.196	2	107.4793	0.623	4	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(C[5]C[5]2C)	107.7360	1.252	2	107.4793	0.623	4	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	106.0440	0.000	1	106.0440	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	105.9970	0.000	1	105.9970	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.3220	0.000	1	108.3220	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CHHO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CCHH)(H){1|H<1>,3|C<3>}	C(C[5]C[5]2H)(CHHO)(H)2	H(C[5]C[5]2C)	110.5000	0.000	1	110.5000	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H){1|O<1>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	109.8465	0.768	4	109.8465	0.590	4	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	110.8810	0.000	1	110.8810	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]2)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]2)(CCHH)(H){1|S<4>,2|C<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.8230	0.000	1	108.8230	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CC[6a]CC)(H)2	H(C[5]C[5]2C)	108.2210	0.000	1	108.2210	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|S<4>}	C(C[5]C[5]2H)(CC[6a]HH)(H)2	H(C[5]C[5]2C)	109.5465	1.539	2	109.5465	2.370	2	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CHHO)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CHHO)(H)2	H(C[5]C[5]2C)	107.2830	0.000	1	107.2830	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]CC)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|O<2>}	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(C[5]C[5]2C)	111.0423	0.123	3	111.0423	0.015	3	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CCHO)(H)2	H(C[5]C[5]2C)	108.7957	0.767	3	108.7957	0.589	3	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CO)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]CO)(C[5]C[5]O)(CCHH)(H){2|C<4>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	107.1930	0.000	1	107.1930	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CHHO)(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CHHO)(H)2	H(C[5]C[5]2C)	108.1455	0.611	4	108.1455	0.373	4	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CHHP)(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CHHP)(H)2	H(C[5]C[5]2C)	109.1910	0.000	1	109.1910	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]S[5]HH)(C[5]N[5]O)(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	107.3400	0.000	1	107.3400	0.000	1	108.4002	2.053	115	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]HH)(H)	C(C[5]C[5]2Fe)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]HH)(H){1|H<1>,3|C<4>}	C(C[5]C[5]2Fe)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	106.4015	0.310	2	106.4015	0.096	2	108.1141	0.989	14	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.6980	0.414	2	108.6980	0.172	2	108.1141	0.989	14	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(H)	C(C[5]C[5]2H)(C[5]C[5]2O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(H){2|C<4>}	C(C[5]C[5]2H)(C[5]C[5]2O)(H)2	H(C[5]C[5]2C)	107.8810	1.201	2	107.8810	1.442	2	108.1141	0.989	14	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[5]HH)(H)	C(C[5]C[5]2H)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[5]HH)(H){3|H<1>}	C(C[5]C[5]2H)2(H)2	H(C[5]C[5]2C)	109.2520	0.000	1	109.2520	0.000	1	108.1141	0.989	14	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|O<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.5453	1.115	3	108.5453	1.244	3	108.1141	0.989	14	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	C(C[5]C[5]2H)2(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|O<1>}	C(C[5]C[5]2H)2(H)2	H(C[5]C[5]2C)	107.9220	0.000	1	107.9220	0.000	1	108.1141	0.989	14	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|O<1>}	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.2753	0.129	3	108.2753	0.017	3	108.1141	0.989	14	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)(H)	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)(H){2|C<3>}	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	H(C[5]C[5]2C)	107.9236	0.587	5	107.9236	0.345	5	107.9236	0.345	5	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H)	C(C[5]C[5]2H)(NCCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(NCCH)(H)2	H(C[5]C[5]2C)	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[6]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	C(C[5]C[5]2H)(N[6]C[6]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(N[6]C[6]2H)(H)2	H(C[5]C[5]2C)	107.2610	0.000	1	107.2610	0.000	1	107.2610	0.000	1	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:P-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHP)(H)	C(C[5]C[5]2H)(PC[6a]2O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHP)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(PC[6a]2O)(H)2	H(C[5]C[5]2C)	108.1820	0.000	1	108.1820	0.000	1	104.2081	54.902	3	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:P-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H)	C(C[5]C[5]2H)(PC3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H){2|H<1>}	C(C[5]C[5]2H)(PC3)(H)2	H(C[5]C[5]2C)	95.6593	0.000	1	95.6593	0.000	1	104.2081	54.902	3	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:P-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H)	C(C[5]C[5]2H)(PC[6a]2O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H){2|H<1>}	C(C[5]C[5]2H)(PC[6a]2O)(H)2	H(C[5]C[5]2C)	108.7830	0.000	1	108.7830	0.000	1	104.2081	54.902	3	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(CHHS)(H)	C(C[5]C[5]2H)(SC[6a]OO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CHHS)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(SC[6a]OO)(H)2	H(C[5]C[5]2C)	106.4360	0.000	1	106.4360	0.000	1	107.3240	1.577	2	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CHHS)(H)	C(C[5]C[5]2H)(SC[6a]OO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CHHS)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(SC[6a]OO)(H)2	H(C[5]C[5]2C)	108.2120	0.000	1	108.2120	0.000	1	107.3240	1.577	2	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:Si-4:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H)	C(C[5]C[5]2H)(SiC3)(H)2	H(C[5]C[5]2C)	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H){1|C<3>}	C(C[5]C[5]2H)(SiC3)(H)2	H(C[5]C[5]2C)	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H)	C(C[6]C[6]O[6]C)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H){2|C<4>}	C(C[6]C[6]O[6]C)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.5700	0.000	1	108.5700	0.000	1	107.5040	2.273	2	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H)	C(C[6]C[6a]C[6]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H){2|H<1>}	C(C[6]C[6a]C[6]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	106.4380	0.000	1	106.4380	0.000	1	107.5040	2.273	2	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	H(C[5]C[5]N[5]C)	109.0480	0.000	1	109.0480	0.000	1	109.5025	0.131	4	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	H(C[5]C[5]N[5]C)	109.6540	0.242	3	109.6540	0.059	3	109.5025	0.131	4	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CClCH)(H)	C(C[5]C[5]N[5]H)(CC3)(Cl)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CClCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(CC3)(Cl)(H)	H(C[5]C[5]N[5]C)	108.1540	0.000	1	108.1540	0.000	1	108.1540	0.000	1	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]O[5])(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5]O[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	109.5620	0.000	1	109.5620	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CHHN)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(CHHN)(H)2	H(C[5]C[5]N[5]C)	109.9270	0.000	1	109.9270	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	109.5940	0.000	1	109.5940	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]N[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]N[5]S)(CCHH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	108.5560	0.211	2	108.5560	0.044	2	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]N[5]C)	107.4810	0.000	1	107.4810	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	109.4810	0.000	1	109.3255	0.048	2	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	109.1700	0.000	1	109.3255	0.048	2	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]N[5]C)	110.0020	0.000	1	110.0020	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHH)(H){2|C<4>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	110.1945	0.182	2	110.1945	0.033	2	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	109.1480	0.975	3	109.1760	0.485	5	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	109.3490	0.000	1	109.1760	0.485	5	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<2>,3|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	109.0870	0.000	1	109.1760	0.485	5	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHN)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CCHN)(H)2	H(C[5]C[5]N[5]C)	109.7200	0.000	1	109.7200	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CCHO)(H)2	H(C[5]C[5]N[5]C)	109.1665	0.279	2	109.1665	0.078	2	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]N[5]C)	109.2340	0.000	1	109.2340	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC[6a]HO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]HO)(H)2	H(C[5]C[5]N[5]C)	109.0550	0.000	1	109.0550	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	110.0720	0.000	1	110.0720	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCN)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CCCN)(H)2	H(C[5]C[5]N[5]C)	109.7900	0.000	1	109.7900	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	109.8700	0.098	2	108.1457	8.925	3	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	104.6970	0.000	1	108.1457	8.925	3	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|O<2>,3|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]N[5]C)	110.0100	0.000	1	110.0100	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CF3)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CF3)(H)2	H(C[5]C[5]N[5]C)	109.6070	0.000	1	109.6070	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	109.7780	0.000	1	109.7780	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	109.5210	0.004	2	109.5210	0.000	2	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	108.9565	0.279	2	108.9565	0.078	2	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HS)(N[5]C[5]S)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	109.7210	0.000	1	109.7210	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]S)(CCHH)(H){1|C<3>,1|N<2>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	109.2030	0.000	1	109.2030	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC[5]HH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(CC[5]HH)(H)2	H(C[5]C[5]N[5]C)	110.2814	0.228	5	110.2814	0.052	5	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CSiHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCHH)(H){1|C<4>,2|O<1>}	C(C[5]C[5]N[5]H)(CSiHH)(H)2	H(C[5]C[5]N[5]C)	109.2060	0.000	1	109.2060	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCHH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	110.5710	0.000	1	110.5710	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H){2|C<4>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	110.0390	0.000	1	110.0390	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	108.6740	1.761	2	108.6740	3.100	2	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CHHO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CHHO)(H)2	H(C[5]C[5]N[5]C)	109.1838	0.271	8	109.1838	0.073	8	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	110.0180	0.420	2	110.0180	0.176	2	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	110.2455	0.388	2	110.2455	0.151	2	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCHH)(H)	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCHH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	109.7830	0.000	1	109.7830	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCHH)(H)	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCHH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	109.0688	1.278	4	109.0688	1.632	4	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCHH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	109.7650	0.000	1	109.7650	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCHH)(H)	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCHH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	109.8250	0.000	1	109.8250	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCHH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	109.3123	0.620	4	109.3123	0.384	4	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Te)(CCHH)(H)	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Te)(CCHH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	110.2910	0.000	1	110.2910	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCHH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	109.6920	0.000	1	109.6920	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]P[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]P[5]H)(CCHH)(H){1|N<3>,1|O<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	109.7700	0.000	1	109.7700	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HP)(N[5]S[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HP)(N[5]S[5]H)(CCHH)(H){2|O<1>}	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]N[5]C)	107.8210	0.262	2	107.8210	0.068	2	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]CH)(N[5]C[5]H)(CCHH)(H){1|S<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	105.1260	0.000	1	105.1260	0.000	1	109.3311	1.077	74	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHI)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHI)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	H(C[5]C[5]N[5]C)	110.5180	0.000	1	110.5180	0.000	1	110.1148	1.404	4	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHI)(H)	C(C[5]C[5]N[5]H)(CH3)(H)(I)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHI)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CH3)(H)(I)	H(C[5]C[5]N[5]C)	108.3510	0.000	1	108.3510	0.000	1	110.1148	1.404	4	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:I-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHI)(H)	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHI)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	H(C[5]C[5]N[5]C)	110.7950	0.117	2	110.7950	0.014	2	110.1148	1.404	4	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6]BrH)(H)	C(C[5]C[5]N[5]H)(C[6]C[6]2H)(Br)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6]BrH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6]C[6]2H)(Br)(H)	H(C[5]C[5]N[5]C)	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HH)(H)	C(C[5]C[5]N[5]H)(C[6]C[6]N[6]H)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HH)(H){2|C<4>}	C(C[5]C[5]N[5]H)(C[6]C[6]N[6]H)(H)2	H(C[5]C[5]N[5]C)	110.3290	0.000	1	110.3290	0.000	1	110.3290	0.000	1	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H)	C(C[5]C[5]N[5]H)(SC[5a]OO)(F)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H){4|H<1>}	C(C[5]C[5]N[5]H)(SC[5a]OO)(F)(H)	H(C[5]C[5]N[5]C)	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHS)(H)	C(C[5]C[5]N[5]H)(SC[6a]NO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHS)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(SC[6a]NO)(H)2	H(C[5]C[5]N[5]C)	109.3550	0.000	1	109.3550	0.000	1	110.1738	0.369	6	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHS)(H)	C(C[5]C[5]N[5]H)(SNOO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHS)(H){4|H<1>}	C(C[5]C[5]N[5]H)(SNOO)(H)2	H(C[5]C[5]N[5]C)	110.8495	0.227	2	110.8495	0.052	2	110.1738	0.369	6	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHS)(H)	C(C[5]C[5]N[5]H)(SC[6a]OO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHS)(H){1|C<3>,2|C<4>}	C(C[5]C[5]N[5]H)(SC[6a]OO)(H)2	H(C[5]C[5]N[5]C)	109.9020	0.000	1	109.9020	0.000	1	110.1738	0.369	6	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H)	C(C[5]C[5]N[5]H)(SC[6a]OO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H){2|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(SC[6a]OO)(H)2	H(C[5]C[5]N[5]C)	110.2710	0.000	1	110.2710	0.000	1	110.1738	0.369	6	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]S)(CHHS)(H)	C(C[5]C[5]N[5]H)(SC[6a]OO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]S)(CHHS)(H){1|C<3>}	C(C[5]C[5]N[5]H)(SC[6a]OO)(H)2	H(C[5]C[5]N[5]C)	109.8160	0.000	1	109.8160	0.000	1	110.1738	0.369	6	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H)	C(C[5]C[5]O[5]H)(NFeCC)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H){4|H<1>}	C(C[5]C[5]O[5]H)(NFeCC)(H)2	H(C[5]C[5]O[5]C)	110.4983	0.201	3	110.4983	0.041	3	110.4345	0.043	4	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H)	C(C[5]C[5]O[5]H)(NFeCH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H){4|H<1>}	C(C[5]C[5]O[5]H)(NFeCH)(H)2	H(C[5]C[5]O[5]C)	110.2430	0.000	1	110.2430	0.000	1	110.4345	0.043	4	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]HH)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]HH)(C[5]N[5]O)(CCHH)(H){3|C<4>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	109.2470	0.000	1	109.2470	0.000	1	109.2470	0.000	1	108.6574	2.653	320	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	H(C[5]C[5,5]C[5]C)	108.3955	0.387	4	108.3955	0.150	4	108.4578	0.132	5	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	H(C[5]C[5,5]C[5]C)	108.7070	0.000	1	108.7070	0.000	1	108.4578	0.132	5	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,6]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H)	C(C[5]C[5,5]N[5,6]H)(CH3)(OC)(H)	H(C[5]C[5,5]N[5,6]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,5]N[5,6]H)(CH3)(OC)(H)	H(C[5]C[5,5]N[5,6]C)	109.1610	0.000	1	109.1610	0.000	1	109.1610	0.000	1	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]H)(CCHO)(H)	C(C[5]C[5,5]N[5]H)(CH3)(OH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]H)(CCHO)(H){1|C<3>,1|O<1>,2|C<4>}	C(C[5]C[5,5]N[5]H)(CH3)(OH)(H)	H(C[5]C[5,5]N[5]C)	108.8360	0.000	1	108.8360	0.000	1	109.0884	0.547	7	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5,5]N[5]H)(CCHH)(OH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]N[5]H)(CCHH)(OH)(H)	H(C[5]C[5,5]N[5]C)	107.5970	0.000	1	107.5970	0.000	1	109.0884	0.547	7	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	H(C[5]C[5,5]N[5]C)	109.5680	0.000	1	109.5680	0.000	1	109.0884	0.547	7	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CCHO)(H)	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	H(C[5]C[5,5]N[5]C)	109.4045	0.347	4	109.4045	0.121	4	109.0884	0.547	7	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	H(C[5]C[5,6]C[5]C)	107.2450	0.027	2	107.2450	0.001	2	107.7233	0.821	6	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	H(C[5]C[5,6]C[5]C)	107.4357	0.207	3	107.4357	0.043	3	107.7233	0.821	6	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	H(C[5]C[5,6]C[5]C)	109.5430	0.000	1	109.5430	0.000	1	107.7233	0.821	6	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[3]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[3]HO)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[3]HO)(H){1|O<1>}	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	107.4010	0.013	2	107.4010	0.000	2	107.4010	0.000	2	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(H){2|C<4>}	C(C[5]C[5]2H)(CH3)(OH)(H)	H(C[5]C[5]2C)	108.0300	0.000	1	108.0300	0.000	1	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CHHN)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CHHN)(OH)(H)	H(C[5]C[5]2C)	108.5390	0.341	2	108.5390	0.116	2	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHO)(H){4|H<1>}	C(C[5]C[5]2H)(CCCH)(OH)(H)	H(C[5]C[5]2C)	109.6090	0.000	1	109.6090	0.000	1	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H){2|H<1>}	C(C[5]C[5]2H)(CCCH)(OH)(H)	H(C[5]C[5]2C)	110.0032	0.239	4	110.0032	0.057	4	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H){1|C<3>}	C(C[5]C[5]2H)(CH3)(OH)(H)	H(C[5]C[5]2C)	109.1740	0.000	1	109.1740	0.000	1	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]H)(CCHO)(H)	C(C[5]C[5]2H)(CHHO)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]C[5]H)(CCHO)(H){1|O<2>,2|H<1>}	C(C[5]C[5]2H)(CHHO)(OC)(H)	H(C[5]C[5]2C)	103.1600	0.000	1	103.1600	0.000	1	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	H(C[5]C[5]2C)	108.9240	0.000	1	108.9240	0.000	1	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	H(C[5]C[5]2C)	109.3160	0.000	1	109.3160	0.000	1	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CH3)(OH)(H)	H(C[5]C[5]2C)	109.9990	0.000	1	109.9990	0.000	1	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CHHO)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CHHO)(OH)(H)	H(C[5]C[5]2C)	108.0760	0.000	1	108.0760	0.000	1	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(C[5]C[5]2C)	106.9550	0.000	1	107.2930	0.228	2	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(C[5]C[5]2C)	107.6310	0.000	1	107.2930	0.228	2	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(C[5]C[5]2C)	108.6570	0.000	1	108.6570	0.000	1	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(H)	C(C[5]C[5]2H)(CCHO)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(H){1|N<3>,2|C<3>}	C(C[5]C[5]2H)(CCHO)(OC)(H)	H(C[5]C[5]2C)	103.1243	5.453	2	103.1243	29.733	2	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(C[5]C[5]2C)	108.8410	0.168	2	108.8410	0.028	2	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CCHO)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	C(C[5]C[5]2H)(CCHO)(OH)(H)	H(C[5]C[5]2C)	109.0465	0.606	2	109.0465	0.367	2	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	H(C[5]C[5]2C)	109.8730	0.000	1	109.8730	0.000	1	108.2716	5.895	24	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	106.7920	0.000	1	106.7920	0.000	1	109.0330	1.891	6	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	109.3280	0.993	4	109.3280	0.986	4	109.0330	1.891	6	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	110.0940	0.000	1	110.0940	0.000	1	109.0330	1.891	6	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]HO)(H)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]HO)(H){4|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	H(C[5]C[5]2C)	106.9700	1.310	2	106.9700	1.715	2	106.5986	0.397	7	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H)	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	H(C[5]C[5]2C)	106.0820	0.000	1	106.4500	0.071	5	106.5986	0.397	7	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H)	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H){4|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	H(C[5]C[5]2C)	106.5420	0.195	4	106.4500	0.071	5	106.5986	0.397	7	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:N-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHN)(H)	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHN)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	H(C[5]C[5]N[5]C)	109.4493	0.591	4	109.4493	0.349	4	109.4493	0.349	4	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHO)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	H(C[5]C[5]N[5]C)	109.3385	0.347	2	109.3385	0.121	2	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	H(C[5]C[5]N[5]C)	109.2310	0.000	1	109.2310	0.000	1	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CCFF)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CCFF)(OH)(H)	H(C[5]C[5]N[5]C)	109.8050	0.000	1	109.8050	0.000	1	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	H(C[5]C[5]N[5]C)	109.6130	0.116	2	109.6130	0.013	2	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHO)(H)	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	H(C[5]C[5]N[5]C)	109.5175	0.206	2	109.5175	0.042	2	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	H(C[5]C[5]N[5]C)	109.1980	0.000	1	109.1980	0.000	1	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H){2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	H(C[5]C[5]N[5]C)	110.2230	0.000	1	110.2230	0.000	1	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	H(C[5]C[5]N[5]C)	108.7940	0.000	1	108.7940	0.000	1	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	H(C[5]C[5]N[5]C)	108.5990	0.000	1	108.5990	0.000	1	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	H(C[5]C[5]N[5]C)	109.6050	0.000	1	109.6050	0.000	1	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	H(C[5]C[5]N[5]C)	109.7180	0.000	1	109.7180	0.000	1	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHO)(H)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHO)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	H(C[5]C[5]N[5]C)	108.7550	0.000	1	108.7550	0.000	1	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H)	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	H(C[5]C[5]N[5]C)	109.7340	0.000	1	109.7340	0.000	1	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H){2|C<4>}	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	H(C[5]C[5]N[5]C)	108.9120	0.000	1	108.9120	0.000	1	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	H(C[5]C[5]N[5]C)	109.3660	0.000	1	109.3660	0.000	1	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	H(C[5]C[5]N[5]C)	109.6660	0.141	2	109.6660	0.020	2	109.4105	0.173	20	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHS)(H)	C(C[5]C[5]N[5]H)(CH3)(SC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHS)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CH3)(SC)(H)	H(C[5]C[5]N[5]C)	108.1360	0.000	1	108.1360	0.000	1	108.1360	0.000	1	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]N[5]C)	108.8560	0.000	1	108.8560	0.000	1	110.1156	0.883	9	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	H(C[5]C[5]N[5]C)	108.3220	0.000	1	110.2144	0.848	7	110.1156	0.883	9	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	H(C[5]C[5]N[5]C)	110.5298	0.427	6	110.2144	0.848	7	110.1156	0.883	9	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]N[5]C)	110.6830	0.000	1	110.6830	0.000	1	110.1156	0.883	9	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:P-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHOP)(H)	C(C[5]C[5]N[5]H)(PC[6a]2O)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHOP)(H){4|H<1>}	C(C[5]C[5]N[5]H)(PC[6a]2O)(OH)(H)	H(C[5]C[5]N[5]C)	110.1030	0.000	1	110.1030	0.000	1	110.1030	0.000	1	108.7140	2.674	93	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCCH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(COO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCCH)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5,5]C[5]H)(CCHH)(COO)(H)	H(C[5]C[5,5]C[5]C)	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCCH)(H){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	H(C[5]C[5,6]C[5]C)	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H)	C(C[5]C[5,6]N[5]H)(CH3)(CCH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]N[5]H)(CH3)(CCH)(H)	H(C[5]C[5,6]N[5]C)	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2H)(CCCH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){3|H<1>}	C(C[5]C[5]2H)(CCCH)(COO)(H)	H(C[5]C[5]2C)	108.4370	0.000	1	108.4370	0.000	1	108.2323	1.474	8	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H){1|Si<4>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CCHH)(CCH)(H)	H(C[5]C[5]2C)	109.7960	0.049	2	109.7960	0.002	2	108.2323	1.474	8	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCH)(H)	C(C[5]C[5]2H)(CCCH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(CCCH)(COO)(H)	H(C[5]C[5]2C)	107.1830	0.000	1	107.1830	0.000	1	108.2323	1.474	8	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]S)(CCCH)(H)	C(C[5]C[5]2H)(CHHO)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]S)(CCCH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CHHO)(CCH)(H)	H(C[5]C[5]2C)	107.8130	0.000	1	107.8130	0.000	1	108.2323	1.474	8	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCCH)(H)	C(C[5]C[5]2H)(CH3)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCCH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(CH3)(COO)(H)	H(C[5]C[5]2C)	106.9115	0.122	2	106.9115	0.015	2	108.2323	1.474	8	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)(H)	C(C[5]C[5]2H)(CCCH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|C<3>}	C(C[5]C[5]2H)(CCCH)(CCO)(H)	H(C[5]C[5]2C)	109.0100	0.000	1	109.0100	0.000	1	108.2323	1.474	8	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHN)(H)	C(C[5]C[5]2H)(CF3)(NHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHN)(H){2|C<3>}	C(C[5]C[5]2H)(CF3)(NHS)(H)	H(C[5]C[5]2C)	108.2860	0.000	1	108.2860	0.000	1	104.9444	35.472	3	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHN)(H)	C(C[5]C[5]2H)(CCHH)(NOO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHN)(H){2|H<1>}	C(C[5]C[5]2H)(CCHH)(NOO)(H)	H(C[5]C[5]2C)	108.4790	0.000	1	108.4790	0.000	1	104.9444	35.472	3	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCHN)(H)	C(C[5]C[5]2H)(CC[6a]HH)(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCHN)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CC[6a]HH)(NCH)(H)	H(C[5]C[5]2C)	98.0681	0.000	1	98.0681	0.000	1	104.9444	35.472	3	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)(CCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CH3)(CCH)(H)	H(C[5]C[5]N[5]C)	109.0060	0.000	1	109.0060	0.000	1	109.1540	0.053	3	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|H<1>,1|N<3>}	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	H(C[5]C[5]N[5]C)	109.0370	0.000	1	109.0370	0.000	1	109.1540	0.053	3	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)(CCO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CH3)(CCO)(H)	H(C[5]C[5]N[5]C)	109.4190	0.000	1	109.4190	0.000	1	109.1540	0.053	3	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:P-4:N-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHNP)(H)	C(C[5]C[5]N[5]H)(PO3)(NHS)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHNP)(H){2|C<4>}	C(C[5]C[5]N[5]H)(PO3)(NHS)(H)	H(C[5]C[5]N[5]C)	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	107.9942	7.080	18	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:C-2:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC3)(H)	C(C[5]C[5]2H)(CH3)(CNO)(CC)	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC3)(H){2|H<1>}	C(C[5]C[5]2H)(CH3)(CNO)(CC)	H(C[5]C[5]2C)	106.7700	0.000	1	106.7700	0.000	1	106.7700	0.000	1	106.7700	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCN)(H)	C(C[5]C[5]2H)(CC[6a]HH)(COO)(NOO)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCN)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(CC[6a]HH)(COO)(NOO)	H(C[5]C[5]2C)	106.5540	0.000	1	106.5540	0.000	1	106.5540	0.000	1	104.8520	5.794	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)(COO)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC3)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(CH3)(COO)2	H(C[5]C[5]N[5]C)	103.1500	0.000	1	103.1500	0.000	1	103.1500	0.000	1	104.8520	5.794	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,5,6]C[5]C)	109.0633	0.383	3	109.0633	0.147	3	109.1557	0.132	4	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]H)(CCCH)(H)	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]H)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	H(C[5]C[5,5,6]C[5]C)	109.4330	0.000	1	109.4330	0.000	1	109.1557	0.132	4	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCCH)(H)	C(C[5]C[5,5]C[5]H)(CH3)2(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5,5]C[5]H)(CH3)2(H)	H(C[5]C[5,5]C[5]C)	107.3050	0.000	1	107.3050	0.000	1	107.3050	0.000	1	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5,5]N[5]H)(CH3)2(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>}	C(C[5]C[5,5]N[5]H)(CH3)2(H)	H(C[5]C[5,5]N[5]C)	107.4840	0.000	1	107.4840	0.000	1	108.1440	1.083	4	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5,5]N[5]H)(CH3)2(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,5]N[5]H)(CH3)2(H)	H(C[5]C[5,5]N[5]C)	107.0320	0.000	1	107.0320	0.000	1	108.1440	1.083	4	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5,5]N[5]H)(CH3)2(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCCH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,5]N[5]H)(CH3)2(H)	H(C[5]C[5,5]N[5]C)	108.9670	0.000	1	108.9670	0.000	1	108.1440	1.083	4	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5,5]N[5]H)(CH3)2(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>}	C(C[5]C[5,5]N[5]H)(CH3)2(H)	H(C[5]C[5,5]N[5]C)	109.0930	0.000	1	109.0930	0.000	1	108.1440	1.083	4	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:S-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CCHS)(H)	C(C[5]C[5,5]N[5]H)(CC[6a]HH)(SC[6a]OO)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CCHS)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5,5]N[5]H)(CC[6a]HH)(SC[6a]OO)(H)	H(C[5]C[5,5]N[5]C)	110.6250	0.000	1	110.6250	0.000	1	110.6250	0.000	1	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	106.0840	0.000	1	106.1430	0.007	2	106.3620	2.160	6	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	106.2020	0.000	1	106.1430	0.007	2	106.3620	2.160	6	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	103.6760	0.000	1	103.6760	0.000	1	106.3620	2.160	6	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	107.4033	0.339	3	107.4033	0.115	3	106.3620	2.160	6	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]O[6]O)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5,6]N[5]H)(CH3)2(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,5,6]O[6]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5,6]N[5]H)(CH3)2(H)	H(C[5]C[5,6]N[5]C)	108.0330	0.000	1	108.0330	0.000	1	108.5140	0.463	2	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H)	C(C[5]C[5,6]N[5]H)(CH3)2(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5,6]N[5]H)(CH3)2(H)	H(C[5]C[5,6]N[5]C)	108.9950	0.000	1	108.9950	0.000	1	108.5140	0.463	2	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CCCH)(H){1|C<3>,1|N<3>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	107.2755	0.450	2	107.2755	0.203	2	107.6283	1.637	29	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(H)	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(C[5]C[5]2C)	105.8870	0.071	2	105.8870	0.005	2	107.6283	1.637	29	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H)	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(C[5]C[5]2C)	106.2478	0.564	5	106.2478	0.318	5	107.6283	1.637	29	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCCH)(H){1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(C[5]C[5]2C)	108.9500	0.000	1	108.9500	0.000	1	107.6283	1.637	29	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(C[5]C[5]2C)	108.6707	1.055	3	108.2643	1.403	4	107.6283	1.637	29	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(C[5]C[5]2C)	107.0450	0.000	1	108.2643	1.403	4	107.6283	1.637	29	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2H)(CCHO)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(CCHO)(CH3)(H)	H(C[5]C[5]2C)	107.6799	0.725	7	107.6799	0.526	7	107.6283	1.637	29	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	107.5770	1.748	2	107.5770	3.055	2	107.6283	1.637	29	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H){1|Si<4>,1|C<3>,1|H<1>}	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	H(C[5]C[5]2C)	109.9080	0.000	1	109.9080	0.000	1	107.6283	1.637	29	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]RuH)(C[5]N[5]O)(CCCH)(H)	C(C[5]C[5]2H)(CRuCH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]RuH)(C[5]N[5]O)(CCCH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(CRuCH)(CCHH)(H)	H(C[5]C[5]2C)	109.0113	0.781	3	109.0113	0.610	3	107.6283	1.637	29	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCCH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	H(C[5]C[5]2C)	107.8980	1.550	2	107.8980	2.402	2	107.6283	1.637	29	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]CH)(H)	C(C[5]C[5]2H)2(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]CH)(H){2|C<3>}	C(C[5]C[5]2H)2(CH3)(H)	H(C[5]C[5]2C)	108.0705	0.227	2	108.0705	0.052	2	108.0705	0.052	2	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCCH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.6660	0.000	1	108.6660	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.4810	0.000	1	108.4810	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	107.4495	1.917	2	107.4495	3.675	2	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CCCH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.1355	0.982	2	109.1355	0.965	2	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.5662	0.980	4	108.8887	0.894	6	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.5335	0.588	2	108.8887	0.894	6	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.8980	0.280	2	108.8980	0.078	2	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(CCHH)2(H)	H(C[5]C[5]N[5]C)	107.5580	0.000	1	108.0435	0.471	2	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CCHH)2(H)	H(C[5]C[5]N[5]C)	108.5290	0.000	1	108.0435	0.471	2	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(CCCH)(H){1|H<1>,2|N<3>,4|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	107.4130	0.245	2	107.4130	0.060	2	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]B[5]C[6])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]B[5]C[6])(CCCH)(H){1|Ir<8>,1|N<3>,5|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.8650	0.000	1	109.8650	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCCH)(H){1|O<1>,4|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.4028	0.692	6	109.4028	0.479	6	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5]S)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]C[5]S)(CCCH)(H){1|O<1>,4|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.6190	0.000	1	109.6190	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(CCCH)(H){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.5290	0.000	1	109.5290	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]S[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]H)(CCCH)(H){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.9140	0.000	1	108.9140	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	107.7740	0.000	1	107.7740	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.5000	0.133	2	108.8743	0.429	3	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.6230	0.000	1	108.8743	0.429	3	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Co)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Co)(CCCH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.0000	0.952	3	109.0000	0.907	3	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<3>,1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.2195	0.166	2	109.2557	0.052	6	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.2737	0.276	4	109.2557	0.052	6	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<3>,1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	103.3330	0.000	1	107.9098	5.243	6	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.8252	0.520	5	107.9098	5.243	6	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	105.7309	5.026	10	105.7309	25.260	10	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Fe)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Fe)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.1400	0.000	1	108.1400	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Li)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Li)(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	107.5300	0.008	2	107.5300	0.000	2	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Mn)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Mn)(CCCH)(H){1|B<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	107.5997	1.168	3	107.5997	1.365	3	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]P)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]P)(CCCH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.0930	0.537	2	109.0930	0.289	2	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.3195	0.257	2	108.7407	0.565	3	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.5830	0.000	1	108.7407	0.565	3	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Re)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Re)(CCCH)(H){1|B<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	107.6113	0.560	3	107.6113	0.313	3	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Zn)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Zn)(CCCH)(H){1|B<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.2393	0.547	6	108.2853	0.264	7	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Zn)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Zn)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.5610	0.000	1	108.2853	0.264	7	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCCH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.8495	0.460	2	109.8495	0.212	2	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]2)(CCCH)(H){1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.3070	0.000	1	109.3070	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ag)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ag)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.4257	0.287	4	108.4257	0.083	4	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Al)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Al)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.5748	0.071	6	109.5748	0.005	6	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.3350	0.388	19	109.3350	0.151	19	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.9627	0.571	22	108.9627	0.326	22	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.8697	0.416	4	109.2837	0.396	8	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.6977	0.542	4	109.2837	0.396	8	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.0859	0.902	17	109.1113	0.621	23	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.1352	0.325	4	109.1113	0.621	23	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H){1|N<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.2785	0.525	2	109.1113	0.621	23	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Dy)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Dy)(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.5730	0.000	1	109.5730	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.2724	0.740	18	108.2724	0.548	18	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	H(C[5]C[5]N[5]C)	109.3570	0.000	1	109.3570	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.1572	0.733	10	109.2106	0.515	11	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.7450	0.000	1	109.2106	0.515	11	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCCH)(H){1|B<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.2820	0.894	3	109.2820	0.800	3	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Mo)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Mo)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.6130	0.000	1	109.6130	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]N)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]N)(CCCH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	113.6240	0.000	1	113.6240	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(C[5]C[5]N[5]C)	94.5018	0.000	1	94.5018	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.6923	1.959	29	108.9724	2.935	50	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.3592	1.244	21	108.9724	2.935	50	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.1498	0.609	13	109.3157	0.956	33	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.4687	1.215	18	109.3157	0.956	33	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|N<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.0175	0.313	2	109.3157	0.956	33	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.7060	0.000	1	109.7060	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Re)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Re)(CCCH)(H){1|B<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.3017	0.611	3	109.3017	0.374	3	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.3282	0.363	6	109.3694	0.268	9	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.4520	0.852	3	109.3694	0.268	9	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.2720	0.609	5	109.4394	0.303	8	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.7183	0.363	3	109.4394	0.303	8	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCCH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.4040	0.591	2	109.4040	0.349	2	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Sn)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Sn)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.2640	0.000	1	108.2640	0.000	1	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.5489	0.463	7	109.3781	0.325	9	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H){1|N<2>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.7805	0.630	2	109.3781	0.325	9	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	107.8500	0.000	1	108.5176	0.832	7	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H){1|S<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	108.6288	0.946	6	108.5176	0.832	7	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Co)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]Co)(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	107.6033	0.095	3	107.6033	0.009	3	108.8353	2.813	326	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCHS)(H)	C(C[5]C[5]N[5]H)(SC[6a]NO)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCHS)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(SC[6a]NO)(CH3)(H)	H(C[5]C[5]N[5]C)	107.9320	0.000	1	107.9320	0.000	1	107.9320	0.000	1	108.6913	2.817	376	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CCCO)(H)	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CCCO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5,5,6]C[5]C)	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	107.5539	6.006	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:N-2:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCN)(H)	C(C[5]C[5]2H)(CH3)2(NN)	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCN)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CH3)2(NN)	H(C[5]C[5]2C)	108.1710	0.000	1	108.1710	0.000	1	108.1710	0.000	1	107.5539	6.006	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H)	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H){2|C<3>}	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	108.4350	0.000	1	108.4350	0.000	1	106.3800	18.412	3	107.5539	6.006	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(C[5]C[5]2C)	109.2570	0.000	1	109.2570	0.000	1	106.3800	18.412	3	107.5539	6.006	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCCO)(H)	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCCO)(H){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	101.4480	0.000	1	101.4480	0.000	1	106.3800	18.412	3	107.5539	6.006	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H)	C(C[5]C[5]N[5]H)(CC[6a]HH)2(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H){2|C<3>}	C(C[5]C[5]N[5]H)(CC[6a]HH)2(OH)	H(C[5]C[5]N[5]C)	108.4550	0.000	1	108.4550	0.000	1	107.8973	3.460	6	107.5539	6.006	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCO)(H)	C(C[5]C[5]N[5]H)(CH3)2(OC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCO)(H){2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CH3)2(OC)	H(C[5]C[5]N[5]C)	108.6950	0.000	1	108.6950	0.000	1	107.8973	3.460	6	107.5539	6.006	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCO)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCO)(H){2|C<4>}	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5]N[5]C)	108.5890	0.000	1	108.5890	0.000	1	107.8973	3.460	6	107.5539	6.006	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCO)(H)	C(C[5]C[5]N[5]H)(CH3)2(ONi)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCO)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(ONi)	H(C[5]C[5]N[5]C)	104.4670	0.000	1	104.4670	0.000	1	107.8973	3.460	6	107.5539	6.006	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCO)(H)	C(C[5]C[5]N[5]H)(CH3)2(OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCO)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(OO)	H(C[5]C[5]N[5]C)	107.3340	0.000	1	107.3340	0.000	1	107.8973	3.460	6	107.5539	6.006	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCO)(H)	C(C[5]C[5]N[5]H)(CCHH)2(OC)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCO)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CCHH)2(OC)	H(C[5]C[5]N[5]C)	109.8440	0.000	1	109.8440	0.000	1	107.8973	3.460	6	107.5539	6.006	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:3:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)(H)	C(C[5]C[5]2H)(CH3)2(CHO)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(CH3)2(CHO)	H(C[5]C[5]2C)	107.5150	0.000	1	107.5150	0.000	1	107.5150	0.000	1	108.3565	1.416	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:N-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCN)(H)	C(C[5]C[5]N[5]H)(CH3)2(NCC)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCN)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(NCC)	H(C[5]C[5]N[5]C)	109.1980	0.000	1	109.1980	0.000	1	109.1980	0.000	1	108.3565	1.416	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[5]C)(CC3)(H)	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]C)(CC3)(H){2|Cl<1>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	H(C[5]C[3,5]C[5]C)	109.6250	0.000	1	109.6250	0.000	1	109.6250	0.000	1	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]N[5])(CC3)(H)	C(C[5]C[5,5]C[5]H)(CH3)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]N[5])(CC3)(H){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C(C[5]C[5,5]C[5]H)(CH3)3	H(C[5]C[5,5]C[5]C)	107.0760	0.000	1	107.0760	0.000	1	107.0760	0.000	1	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC3)(H)	C(C[5]C[5,5]N[5]H)(CCHH)(CH3)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,5]N[5]H)(CCHH)(CH3)2	H(C[5]C[5,5]N[5]C)	105.5230	0.000	1	105.5230	0.000	1	105.5230	0.000	1	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:S-4:S-4:	C[5]-4:	C[5](C[5]O[5]HO)(C[5]C[5]C)(CCSS)(H)	C(C[5]C[5]2H)(CC[6a]HH)(SC[6a]OO)2	H(C[5]C[5]2C)	C[5](C[5]O[5]HO)(C[5]C[5]C)(CCSS)(H){1|O<1>}	C(C[5]C[5]2H)(CC[6a]HH)(SC[6a]OO)2	H(C[5]C[5]2C)	106.5510	0.148	2	106.5510	0.022	2	106.5510	0.022	2	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H){1|F<1>,3|H<1>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	108.2140	0.000	1	108.5980	0.295	2	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H){2|I<1>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	108.9820	0.000	1	108.5980	0.295	2	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC3)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	108.6770	0.000	1	108.6770	0.000	1	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(CC3)(H){1|C<4>,1|N<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	108.2935	0.662	4	108.2935	0.439	4	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CC3)(H){1|Ru<5>,1|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	107.9635	0.151	2	107.9635	0.023	2	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]H)(CC3)(H){2|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	109.0190	0.000	1	109.0190	0.000	1	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CC3)(H){2|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	109.2540	0.000	1	109.2540	0.000	1	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	109.5220	0.168	2	109.5853	0.026	3	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H){1|S<1>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	109.7120	0.000	1	109.5853	0.026	3	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	107.8330	0.211	3	107.8330	0.045	3	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CC3)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	109.3173	0.642	4	109.3173	0.412	4	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	108.8253	0.465	4	108.8253	0.216	4	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	110.1240	0.320	2	109.8157	0.336	3	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC3)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	109.1990	0.000	1	109.8157	0.336	3	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	109.2733	0.285	4	109.1351	0.117	11	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	109.0561	0.367	7	109.1351	0.117	11	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	107.5825	2.645	2	108.8444	3.742	10	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	109.1599	1.801	8	108.8444	3.742	10	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	108.9139	0.373	9	108.9139	0.139	9	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CC3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	109.7170	0.000	1	109.2080	0.518	2	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CC3)(H){1|N<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	108.6990	0.000	1	109.2080	0.518	2	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CC3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]C)	108.9730	0.306	4	108.9730	0.093	4	108.9216	0.850	64	108.7871	1.162	69	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	3:3:4:2:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5]O[5]H)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<3>}	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5]O[5]H)(OH)	H(C[5]C[5]O[5]C)	109.7175	1.908	2	109.7175	3.642	2	109.7175	3.642	2	109.7175	3.642	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	3:4:1:1:	4:	C[3,5]-4:C-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O[5]H)(H)2	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]N[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C(C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O[5]H)(H)2	H(C[5]C[3,5]O[5]C)	109.4080	0.000	1	109.4080	0.000	1	109.4080	0.000	1	109.8796	0.872	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C-4:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(CN[5a]HH)(O[5]C[5])(H)	C(N[5a]C[5a,6]N[5a])(C[5]C[5,5]O[5]H)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(CN[5a]HH)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>}	C(N[5a]C[5a,6]N[5a])(C[5]C[5,5]O[5]H)(H)2	H(C[5]C[5,5]O[5]C)	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	109.8796	0.872	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(CC[6a]HH)(O[5]N[5])(H)	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(CC[6a]HH)(O[5]N[5])(H){1|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	108.3185	0.876	2	108.3185	0.768	2	108.3185	0.768	2	109.8796	0.872	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])(H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	109.5690	0.286	3	109.5690	0.082	3	110.3073	0.353	10	109.8796	0.872	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H){1|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	110.5630	0.320	2	110.5630	0.102	2	110.3073	0.353	10	109.8796	0.872	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H)	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H){1|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	110.8670	0.000	1	110.8670	0.000	1	110.3073	0.353	10	109.8796	0.872	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	110.5560	0.704	2	110.5823	0.250	3	110.3073	0.353	10	109.8796	0.872	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){2|C<4>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	110.6350	0.000	1	110.5823	0.250	3	110.3073	0.353	10	109.8796	0.872	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]O[5]C)	110.6260	0.000	1	110.6260	0.000	1	110.3073	0.353	10	109.8796	0.872	14	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(CC[5a]HO)(N[5]C[5])(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(CC[5a]HO)(N[5]C[5])(H){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(OH)(H)	H(C[5]C[5]N[5]C)	109.4280	0.000	1	109.4280	0.000	1	109.4280	0.000	1	109.4280	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C[5]-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](CC[5a]C[6a]H)(C[5]C[5]HH)(O[5]C[5])(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[5]O[5]C)	C[5](CC[5a]C[6a]H)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[5]O[5]C)	108.6640	0.000	1	108.6640	0.000	1	108.6640	0.000	1	110.1500	1.804	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(CC[5a]HN)(O[5]C[5])(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(NCO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(CC[5a]HN)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(NCO)(H)	H(C[5]C[5]O[5]C)	111.2770	0.000	1	111.2770	0.000	1	110.8930	0.295	2	110.1500	1.804	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CC[5a]HN)(O[5]C[5])(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(NCO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(CC[5a]HN)(O[5]C[5])(H){2|C<4>}	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(NCO)(H)	H(C[5]C[5]O[5]C)	110.5090	0.000	1	110.5090	0.000	1	110.8930	0.295	2	110.1500	1.804	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]N[5]2)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]O[5]C)	108.8655	1.064	2	108.8655	1.133	2	108.8655	1.133	2	109.1489	0.469	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5,6]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,3|O<2>,5|H<1>}	C(C[5]C[5,6]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]O[5]C)	106.7980	0.000	1	106.7980	0.000	1	106.7980	0.000	1	109.1489	0.469	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5])(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	H(C[5]C[5]N[5]C)	110.3950	0.000	1	110.3950	0.000	1	110.3950	0.000	1	109.1489	0.469	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(CC[6a]HH)(N[5]C[5])(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.0530	0.000	1	109.0530	0.000	1	108.9754	0.030	9	109.1489	0.469	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H){1|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.9437	0.266	4	108.9657	0.034	8	108.9754	0.030	9	109.1489	0.469	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H){1|C<6>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	108.9878	0.080	4	108.9657	0.034	8	108.9754	0.030	9	109.1489	0.469	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(Br)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(Br)(H)	H(C[5]C[5]O[5]C)	109.8745	0.122	2	109.8745	0.015	2	109.8745	0.015	2	109.1489	0.469	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	109.2040	0.000	1	109.1737	0.332	3	109.1883	0.206	7	109.1489	0.469	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	108.5830	0.000	1	109.1737	0.332	3	109.1883	0.206	7	109.1489	0.469	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	109.7340	0.000	1	109.1737	0.332	3	109.1883	0.206	7	109.1489	0.469	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|Cl<1>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	109.4910	0.000	1	109.0693	0.183	3	109.1883	0.206	7	109.1489	0.469	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	108.8585	0.315	2	109.0693	0.183	3	109.1883	0.206	7	109.1489	0.469	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H){2|O<1>,3|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]O[5]C)	109.5890	0.000	1	109.5890	0.000	1	109.1883	0.206	7	109.1489	0.469	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HI)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)(I)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]HI)(O[5]C[5])(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)(I)	H(C[5]C[5]O[5]C)	109.9630	0.223	2	109.9630	0.050	2	109.9630	0.050	2	109.1489	0.469	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:N[5a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(CN[5a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(N[5a]C[5a]2)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CN[5a]HH)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(N[5a]C[5a]2)(H)2	H(C[5]C[5]O[5]C)	109.1185	0.160	4	109.1185	0.026	4	109.1185	0.026	4	109.1489	0.469	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(CC[6a]HO)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(CC[6a]HO)(N[5]C[5])(H){2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]N[5]C)	108.8000	0.000	1	108.8000	0.000	1	108.8000	0.000	1	109.0671	0.471	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){4|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC)(H)	H(C[5]C[5]O[5]C)	108.2190	0.000	1	108.2190	0.000	1	108.8923	0.346	3	109.0671	0.471	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){1|C<3>,1|P<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NN)(H)	H(C[5]C[5]O[5]C)	109.2290	0.105	2	109.2290	0.011	2	108.8923	0.346	3	109.0671	0.471	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(CC[6a]HO)(O[5]C[5])(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	108.5105	0.786	2	108.5105	0.617	2	109.1801	0.628	7	109.0671	0.471	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5]O[5]C)	108.9940	0.000	1	108.9940	0.000	1	109.1801	0.628	7	109.0671	0.471	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	109.1445	0.784	2	109.1445	0.615	2	109.1801	0.628	7	109.0671	0.471	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(CC[6a]HO)(O[5]C[5])(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	109.5730	0.000	1	109.5730	0.000	1	109.1801	0.628	7	109.0671	0.471	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(CC[6a]HO)(O[5]C[5])(H){1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	H(C[5]C[5]O[5]C)	110.3840	0.000	1	110.3840	0.000	1	109.1801	0.628	7	109.0671	0.471	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:1:	4:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]CH)(O[5]C[5])(H)	C(C[5]C[5,5]O[5]H)(C[5a]C[5a]O[5a])(CCC)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	C(C[5]C[5,5]O[5]H)(C[5a]C[5a]O[5a])(CCC)(H)	H(C[5]C[5,5]O[5]C)	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	109.0171	0.539	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:1:	4:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(CC[6a]2H)(O[5]C[5])(H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]N[5,5]C[5]H)(CC[6a]2H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5,5]O[5]C)	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	109.0171	0.539	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(CC[6a]HN)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NSS)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(CC[6a]HN)(N[5]C[5])(H){2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NSS)(H)	H(C[5]C[5]N[5]C)	108.3730	0.000	1	108.3730	0.000	1	108.3730	0.000	1	109.0171	0.539	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-1:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(O)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(O)	H(C[5]C[5]O[5]C)	109.5385	0.121	2	109.5385	0.015	2	109.5385	0.015	2	109.0171	0.539	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(CC[6a]HN)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NCC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CC)(CC[6a]HN)(O[5]C[5])(H){1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NCC)(H)	H(C[5]C[5]O[5]C)	109.9950	0.000	1	109.9950	0.000	1	109.9950	0.000	1	109.0171	0.539	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]2F)(S[5]C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HH)(CC[6a]2F)(S[5]C[5])(H){4|H<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	H(C[5]C[5]S[5]C)	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	109.0171	0.539	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:2:	4:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(CC[6a]2O)(O[5]C[5])(H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(CC[6a]2O)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5,5]O[5]C)	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	108.4905	4.539	80	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:2:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N-2:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NMo)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NMo)	H(C[5]C[5]O[5]C)	109.0330	0.468	2	109.0330	0.219	2	108.3363	1.566	3	108.4905	4.539	80	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:2:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N-2:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NP)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NP)	H(C[5]C[5]O[5]C)	106.9430	0.000	1	106.9430	0.000	1	108.3363	1.566	3	108.4905	4.539	80	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:2:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[5,5]HH)(CC[6a]2O)(O[5]N[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(CC[6a]2O)(O[5]N[5])(H){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]O[5]C)	109.2580	0.000	1	109.2580	0.000	1	108.4992	4.801	75	108.4905	4.539	80	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:2:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]2O)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]2O)(O[5]C[5])(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]O[5]C)	108.2473	0.334	9	108.2473	0.112	9	108.4992	4.801	75	108.4905	4.539	80	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:2:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]B[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OC)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]B[5])(H){1|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OC)	H(C[5]C[5]O[5]C)	109.3577	0.309	6	109.3577	0.095	6	108.4992	4.801	75	108.4905	4.539	80	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:2:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OAl)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OAl)	H(C[5]C[5]O[5]C)	108.8445	0.122	2	108.8445	0.015	2	108.4992	4.801	75	108.4905	4.539	80	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:2:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]O[5]C)	109.2334	0.615	20	109.2334	0.379	20	108.4992	4.801	75	108.4905	4.539	80	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:2:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	H(C[5]C[5]O[5]C)	107.9310	3.060	35	107.9310	9.364	35	108.4992	4.801	75	108.4905	4.539	80	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:2:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OTi)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OTi)	H(C[5]C[5]O[5]C)	108.9355	0.230	2	108.9355	0.053	2	108.4992	4.801	75	108.4905	4.539	80	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:2:	4:	C[5]-4:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]2O)(S[5]C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HH)(CC[6a]2O)(S[5]C[5])(H){4|H<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]S[5]C)	108.5590	0.000	1	108.5590	0.000	1	108.5590	0.000	1	108.4905	4.539	80	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:3:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N-3:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NCH)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NCH)	H(C[5]C[5]O[5]C)	109.3720	0.626	2	109.3720	0.392	2	109.3502	0.383	5	109.3502	0.383	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:3:3:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N-3:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NHP)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NHP)	H(C[5]C[5]O[5]C)	109.3357	0.754	3	109.3357	0.568	3	109.3502	0.383	5	109.3502	0.383	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:F-1:	C[5]-4:	C[5](C[5]N[5]HH)(CC[6a]CF)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(F)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(CC[6a]CF)(N[5]C[5])(H){2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(F)	H(C[5]C[5]N[5]C)	108.7255	0.278	2	108.7255	0.077	2	108.7255	0.077	2	109.1785	0.374	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	H(C[5]C[5]O[5]C)	110.1990	0.000	1	110.1990	0.000	1	109.1824	0.337	5	109.1785	0.374	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	H(C[5]C[5]O[5]C)	108.9310	0.000	1	108.9310	0.000	1	109.1824	0.337	5	109.1785	0.374	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[5]C[5]O[5]C)	108.8800	0.000	1	108.8800	0.000	1	109.1824	0.337	5	109.1785	0.374	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|S<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHO)(H)	H(C[5]C[5]O[5]C)	108.9510	0.229	2	108.9510	0.052	2	109.1824	0.337	5	109.1785	0.374	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]AlH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){4|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]AlH)(H)	H(C[5]C[5]O[5]C)	110.0650	0.000	1	110.0650	0.000	1	110.0650	0.000	1	109.1785	0.374	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:4:2:	4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	C[5]-4:	C[5](C[5]N[5]HH)(CC[6a]CO)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(CC[6a]CO)(N[5]C[5])(H){2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(OH)	H(C[5]C[5]N[5]C)	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	108.7023	0.065	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:3:4:2:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]CO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]CO)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(OH)	H(C[5]C[5]O[5]C)	108.7575	0.333	2	108.7575	0.111	2	108.7575	0.111	2	108.7023	0.065	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6]-4:N[4]-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	H(C[5]C[5]O[5]C)	102.2110	0.201	2	102.2110	0.040	2	102.2110	0.040	2	102.2110	0.040	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:2:1:	4:4:3:2:	4:	C-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6a]-3:O-2:	C[5]-4:	C[5](CC[6a]C[6]O)(C[5]O[5]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2Pd)(C[6a]C[6a]2)(OP)	H(C[5]C[5]O[5]C)	C[5](CC[6a]C[6]O)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]2Pd)(C[6a]C[6a]2)(OP)	H(C[5]C[5]O[5]C)	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C-4:C[5]-3:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H){1|O<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.2348	0.407	11	108.2348	0.166	11	108.2348	0.166	11	108.2348	0.166	11	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C-4:C[5]-3:H-1:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H){1|O<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:3:1:	3:4:3:3:	4:	C-4:C[5]-4:N[5]-3:H-1:	N[5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](CC[6a]2N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	H(C[5]C[5]N[5]C)	C[5](CC[6a]2N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){4|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	H(C[5]C[5]N[5]C)	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(CC[6a]ClH)(N[5]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	H(C[5]C[5]N[5]C)	107.8420	0.000	1	107.8420	0.000	1	107.6617	5.321	4	107.6617	5.321	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	H(C[5]C[5]N[5]C)	108.7640	0.000	1	108.7640	0.000	1	107.6617	5.321	4	107.6617	5.321	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(CC[6a]ClH)(N[5]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	H(C[5]C[5]N[5]C)	104.3850	0.000	1	104.3850	0.000	1	107.6617	5.321	4	107.6617	5.321	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	H(C[5]C[5]N[5]C)	109.6560	0.000	1	109.6560	0.000	1	107.6617	5.321	4	107.6617	5.321	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:3:1:	4:4:1:1:	4:	C[3,5]-4:C-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(H)	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]H)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]H)(H)2	H(C[5]C[3,5]C[5]C)	106.4125	0.510	2	106.4125	0.260	2	106.4125	0.260	2	108.0987	4.210	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(CC[5,6]HH)(C[5]C[5]C)(H)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]CC)(CC[5,6]HH)(C[5]C[5]C)(H){1|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	109.0790	0.000	1	109.0790	0.000	1	109.0790	0.000	1	108.0987	4.210	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CC[5,6]HH)(N[5]C[5]C)(H)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(CC[5,6]HH)(N[5]C[5]C)(H){2|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	110.4910	0.000	1	110.4910	0.000	1	110.4910	0.000	1	108.0987	4.210	4	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[5]HH)2(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC[6a]2C)(H){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	H(C[5]C[5]2C)	107.5535	0.559	2	107.5535	0.313	2	107.5535	0.313	2	107.8343	0.393	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(C[5]C[5]2H)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]2O)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)2(C[5]C[5]2H)(OH)	H(C[5]C[5]2C)	108.3960	0.000	1	108.3960	0.000	1	108.3960	0.000	1	107.8343	0.393	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5,6]HH)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5,6]HH)(H){1|O<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CC[5a]HH)(H){1|C<3>,1|O<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	107.8000	0.000	1	107.8000	0.000	1	107.8000	0.000	1	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]BrH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(Br)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]BrH)(H){1|O<1>,1|S<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(Br)(H)	H(C[5]C[5]2C)	103.7470	0.000	1	103.7470	0.000	1	103.7470	0.000	1	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.3800	0.000	1	108.3800	0.000	1	108.6488	1.642	22	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]N[5]CH)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	109.2060	0.274	2	109.2060	0.075	2	108.6488	1.642	22	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HH)(H){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	107.8470	0.042	2	107.8470	0.002	2	108.6488	1.642	22	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	109.8960	0.000	1	107.8413	3.176	3	108.6488	1.642	22	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	106.8140	0.140	2	107.8413	3.176	3	108.6488	1.642	22	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	107.8500	1.310	5	107.9693	1.459	6	108.6488	1.642	22	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.5660	0.000	1	107.9693	1.459	6	108.6488	1.642	22	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CC[6a]HH)(H){1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	109.5277	0.255	3	109.5277	0.065	3	108.6488	1.642	22	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)(H){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.2810	0.000	1	108.2810	0.000	1	108.6488	1.642	22	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]HH)(H){1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	111.7160	0.000	1	111.7160	0.000	1	108.6488	1.642	22	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]N[5]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]SiH)(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	109.6580	0.124	2	109.6580	0.015	2	108.6488	1.642	22	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|O<1>,3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.5510	0.000	1	108.5510	0.000	1	108.6488	1.642	22	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CN[5a]HH)(H){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.6965	0.131	2	108.6965	0.017	2	108.6965	0.017	2	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CC[5a]HH)(H){4|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	108.4090	2.172	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	107.7530	0.000	1	107.7530	0.000	1	108.3149	0.872	7	108.3149	0.872	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HO)(H){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	108.3400	0.000	1	108.3400	0.000	1	108.3149	0.872	7	108.3149	0.872	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(ON[5a])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HO)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(ON[5a])(H)	H(C[5]C[5]2C)	107.0010	0.000	1	107.0010	0.000	1	108.3149	0.872	7	108.3149	0.872	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	108.9730	0.000	1	108.9730	0.000	1	108.3149	0.872	7	108.3149	0.872	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(H){1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	109.1070	0.000	1	109.1070	0.000	1	108.3149	0.872	7	108.3149	0.872	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	109.5270	0.000	1	109.5270	0.000	1	108.3149	0.872	7	108.3149	0.872	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	107.5030	0.000	1	107.5030	0.000	1	108.3149	0.872	7	108.3149	0.872	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]CH)(H){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	H(C[5]C[5]2C)	107.7045	0.135	2	107.7045	0.018	2	108.1655	0.764	4	108.1025	0.506	10	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]CH)(H){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCH)(H)	H(C[5]C[5]2C)	108.6265	1.193	2	108.6265	1.423	2	108.1655	0.764	4	108.1025	0.506	10	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	H(C[5]C[5]2C)	107.6760	1.078	2	107.6760	1.161	2	108.0605	0.448	6	108.1025	0.506	10	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HN)(H){1|C<3>,1|H<1>,1|S<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	H(C[5]C[5]2C)	107.6710	0.000	1	107.6710	0.000	1	108.0605	0.448	6	108.1025	0.506	10	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC[6a]HN)(H){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	H(C[5]C[5]2C)	108.4467	0.303	3	108.4467	0.092	3	108.0605	0.448	6	108.1025	0.506	10	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)2(CC[6a]CO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC[6a]CO)(H){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	H(C[5]C[5]2C)	107.4900	0.078	2	107.4900	0.006	2	107.4900	0.006	2	107.4900	0.006	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H){1|S<4>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	H(C[5]C[5]2C)	107.4670	0.000	1	107.4670	0.000	1	107.4670	0.000	1	107.4670	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C-4:C-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(CN)	H(C[5]C[5]2C)	106.9327	2.725	4	106.9327	7.426	4	106.3984	6.997	5	106.3984	6.997	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C-4:C-2:	C[5]-4:	C[5](C[5]C[5]HH)2(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC[6a]CC)(H){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(CN)	H(C[5]C[5]2C)	104.2610	0.000	1	104.2610	0.000	1	106.3984	6.997	5	106.3984	6.997	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	B[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H)	C(C[5]B[5]C[5]H)(H)3	H(C[5]B[5]C[5]C)	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H){1|N<3>,3|C<3>}	C(C[5]B[5]C[5]H)(H)3	H(C[5]B[5]C[5]C)	109.5720	0.441	3	109.5720	0.194	3	108.2112	4.160	5	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	B[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](B[5]N[5]OO)(C[5]C[5]HH)(CH3)(H)	C(C[5]B[5]C[5]H)(H)3	H(C[5]B[5]C[5]C)	C[5](B[5]N[5]OO)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C(C[5]B[5]C[5]H)(H)3	H(C[5]B[5]C[5]C)	106.1700	1.537	2	106.1700	2.363	2	108.2112	4.160	5	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	B[5]-4:P[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]C[5]H)(P[5]C[6a]C[5]H)(CH3)(H)	C(C[5]B[5]P[5]H)(H)3	H(C[5]B[5]P[5]C)	C[5](B[5]C[6a]C[5]H)(P[5]C[6a]C[5]H)(CH3)(H){4|C<3>,4|H<1>}	C(C[5]B[5]P[5]H)(H)3	H(C[5]B[5]P[5]C)	109.5720	0.471	2	109.5720	0.222	2	110.1587	1.066	4	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	B[5]-4:P[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]C[5]O)(P[5]C[6a]C[5]C)(CH3)(H)	C(C[5]B[5]P[5]H)(H)3	H(C[5]B[5]P[5]C)	C[5](B[5]C[6a]C[5]O)(P[5]C[6a]C[5]C)(CH3)(H){4|C<3>,4|H<1>}	C(C[5]B[5]P[5]H)(H)3	H(C[5]B[5]P[5]C)	111.6400	0.000	1	111.6400	0.000	1	110.1587	1.066	4	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	B[5]-4:P[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]C[5]S)(P[5]C[6a]C[5]B)(CH3)(H)	C(C[5]B[5]P[5]H)(H)3	H(C[5]B[5]P[5]C)	C[5](B[5]C[6a]C[5]S)(P[5]C[6a]C[5]B)(CH3)(H){4|C<3>,4|H<1>}	C(C[5]B[5]P[5]H)(H)3	H(C[5]B[5]P[5]C)	109.8510	0.000	1	109.8510	0.000	1	110.1587	1.066	4	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[6,6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[3,5,6,6]C[5]H)(H)3	H(C[5]C[3,5,6,6]C[5]C)	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[6,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[3,5,6,6]C[5]H)(H)3	H(C[5]C[3,5,6,6]C[5]C)	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CH3)(H)	C(C[5]C[3,5]C[5,5]H)(H)3	H(C[5]C[3,5]C[5,5]C)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[3,5]C[5,5]H)(H)3	H(C[5]C[3,5]C[5,5]C)	109.6340	0.000	1	109.6340	0.000	1	109.6340	0.000	1	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CH)(CH3)(H)	C(C[5]C[3,5]C[5]H)(H)3	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[3,5]C[5]H)(H)3	H(C[5]C[3,5]C[5]C)	109.4150	1.855	2	109.4150	3.443	2	108.8819	2.904	13	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[3,5]C[5]H)(H)3	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[3,5]C[5]H)(H)3	H(C[5]C[3,5]C[5]C)	105.7990	0.605	2	105.7990	0.366	2	108.8819	2.904	13	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[3,5]C[5]H)(H)3	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[3,5]C[5]H)(H)3	H(C[5]C[3,5]C[5]C)	110.0135	0.251	2	109.2807	0.935	8	108.8819	2.904	13	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[3,5]C[5]H)(H)3	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|H<1>}	C(C[5]C[3,5]C[5]H)(H)3	H(C[5]C[3,5]C[5]C)	109.0365	1.005	6	109.2807	0.935	8	108.8819	2.904	13	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[5,6a]C[3,6]S[3])(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[3,5]C[5]H)(H)3	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[5,6a]C[3,6]S[3])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C(C[5]C[3,5]C[5]H)(H)3	H(C[5]C[3,5]C[5]C)	110.7910	0.000	1	110.7910	0.000	1	108.8819	2.904	13	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,6]2)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[3x5,6]C[5]H)(H)3	H(C[5]C[3x5,6]C[5]C)	C[5](C[3x5,6]C[3x5,6]C[5,6]2)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[5]C[3x5,6]C[5]H)(H)3	H(C[5]C[3x5,6]C[5]C)	107.7715	0.381	2	107.7715	0.145	2	107.8425	0.925	4	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[3x5,6]C[5]H)(H)3	H(C[5]C[3x5,6]C[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[5]C[3x5,6]C[5]H)(H)3	H(C[5]C[3x5,6]C[5]C)	109.0560	0.000	1	107.9135	2.611	2	107.8425	0.925	4	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[3x5,6]C[5]H)(H)3	H(C[5]C[3x5,6]C[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C(C[5]C[3x5,6]C[5]H)(H)3	H(C[5]C[3x5,6]C[5]C)	106.7710	0.000	1	107.9135	2.611	2	107.8425	0.925	4	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x5,6]-4:S[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(CH3)(H)	C(C[5]C[3x5,6]S[5]H)(H)3	H(C[5]C[3x5,6]S[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	C(C[5]C[3x5,6]S[5]H)(H)3	H(C[5]C[3x5,6]S[5]C)	108.7480	0.000	1	108.7480	0.000	1	108.7480	0.000	1	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[3x5]C[5]H)(H)3	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[5]C[3x5]C[5]H)(H)3	H(C[5]C[3x5]C[5]C)	109.6100	0.000	1	107.9513	2.140	3	108.4360	2.366	4	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[3x5]C[5]H)(H)3	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[3x5]C[5]H)(H)3	H(C[5]C[3x5]C[5]C)	107.3980	0.000	1	107.9513	2.140	3	108.4360	2.366	4	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[3x5]C[5]H)(H)3	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C(C[5]C[3x5]C[5]H)(H)3	H(C[5]C[3x5]C[5]C)	106.8460	0.000	1	107.9513	2.140	3	108.4360	2.366	4	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[3x5]C[5]H)(H)3	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,6|H<1>}	C(C[5]C[3x5]C[5]H)(H)3	H(C[5]C[3x5]C[5]C)	109.8900	0.000	1	109.8900	0.000	1	108.4360	2.366	4	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClHH)(H)	C(C[5]C[4,5]C[5]H)(Cl)(H)2	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClHH)(H){1|C<3>,1|N<3>,1|O<1>}	C(C[5]C[4,5]C[5]H)(Cl)(H)2	H(C[5]C[4,5]C[5]C)	108.8470	0.000	1	108.8470	0.000	1	108.8470	0.000	1	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CH3)(H)	C(C[5]C[4,5]C[5]H)(H)3	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[4,5]C[5]H)(H)3	H(C[5]C[4,5]C[5]C)	108.3920	0.000	1	108.3920	0.000	1	109.3870	1.980	2	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(CH3)(H)	C(C[5]C[4,5]C[5]H)(H)3	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[4,5]C[5]H)(H)3	H(C[5]C[4,5]C[5]C)	110.3820	0.000	1	110.3820	0.000	1	109.3870	1.980	2	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,3x6]C[5]H)(H)3	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[5]C[5,3x6]C[5]H)(H)3	H(C[5]C[5,3x6]C[5]C)	110.9580	0.000	1	110.9580	0.000	1	108.6370	4.562	4	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,3x6]C[5]H)(H)3	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[5]C[5,3x6]C[5]H)(H)3	H(C[5]C[5,3x6]C[5]C)	106.9880	0.000	1	108.4625	4.348	2	108.6370	4.562	4	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,3x6]C[5]H)(H)3	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[5]C[5,3x6]C[5]H)(H)3	H(C[5]C[5,3x6]C[5]C)	109.9370	0.000	1	108.4625	4.348	2	108.6370	4.562	4	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,3x6]C[5]H)(H)3	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[5]C[5,3x6]C[5]H)(H)3	H(C[5]C[5,3x6]C[5]C)	106.6650	0.000	1	106.6650	0.000	1	108.6370	4.562	4	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,6,6]C[5,6]O[5,6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5,6,6]C[5]H)(H)3	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[5,6,6]C[5,6]O[5,6])(C[5]C[5]HH)(CH3)(H){3|C<4>,5|H<1>}	C(C[5]C[5,5,6,6]C[5]H)(H)3	H(C[5]C[5,5,6,6]C[5]C)	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br2)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br2)(CH3)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	109.8790	0.000	1	109.8790	0.000	1	107.7870	2.044	32	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]S[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]S[5])(C[5]C[5]HH)(CH3)(H){2|O<1>,4|C<4>,4|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	108.4240	0.000	1	108.4240	0.000	1	107.7870	2.044	32	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	107.1090	1.687	3	107.0432	0.991	14	107.7870	2.044	32	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	106.9275	0.262	2	107.0432	0.991	14	107.7870	2.044	32	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	106.7624	0.424	8	107.0432	0.991	14	107.7870	2.044	32	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	109.3240	0.000	1	107.0432	0.991	14	107.7870	2.044	32	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	109.2450	0.000	1	108.5518	3.547	10	107.7870	2.044	32	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	107.6350	0.000	1	108.5518	3.547	10	107.7870	2.044	32	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	110.4450	0.000	1	108.5518	3.547	10	107.7870	2.044	32	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	110.0187	0.311	3	108.5518	3.547	10	107.7870	2.044	32	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	107.0343	1.929	4	108.5518	3.547	10	107.7870	2.044	32	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	107.6450	0.000	1	107.8425	0.078	2	107.7870	2.044	32	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	108.0400	0.000	1	107.8425	0.078	2	107.7870	2.044	32	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	H(C[5]C[5,5,6]C[5]C)	107.7682	0.185	4	107.7682	0.034	4	107.7870	2.044	32	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CF3)(H)	C(C[5]C[5,5]2H)(F)3	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CF3)(H){1|H<1>,1|S<1>,2|N<3>,2|O<1>,4|C<3>}	C(C[5]C[5,5]2H)(F)3	H(C[5]C[5,5]2C)	105.0840	0.000	1	105.0840	0.000	1	105.0840	0.000	1	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,5]C[5]O[5]2)(CH3)(H)	C(C[5]C[5,5]2H)(H)3	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,5]C[5]O[5]2)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C(C[5]C[5,5]2H)(H)3	H(C[5]C[5,5]2C)	107.2480	0.000	1	107.2480	0.000	1	107.7167	0.197	3	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5,5]2H)(CH3)(H)	C(C[5]C[5,5]2H)(H)3	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5,5]2H)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	C(C[5]C[5,5]2H)(H)3	H(C[5]C[5,5]2C)	107.9510	0.255	2	107.9510	0.065	2	107.7167	0.197	3	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]C[6]H)(CH3)(H)	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]C[6]H)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	108.3840	1.021	4	108.3840	1.043	4	107.8098	0.275	37	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){1|C<3>,3|H<1>,6|C<4>}	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	108.0683	0.372	3	107.8918	0.217	4	107.8098	0.275	37	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){4|H<1>,6|C<4>}	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	107.3620	0.000	1	107.8918	0.217	4	107.8098	0.275	37	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,5|C<4>}	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	108.1900	0.000	1	107.6859	0.134	28	107.8098	0.275	37	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,2|H<1>,6|C<4>}	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	107.9460	0.000	1	107.6859	0.134	28	107.8098	0.275	37	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	107.7340	0.052	2	107.6859	0.134	28	107.8098	0.275	37	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|H<1>,1|O<1>,6|C<4>}	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	106.7705	0.059	2	107.6859	0.134	28	107.8098	0.275	37	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){3|H<1>,6|C<4>}	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	107.7300	0.274	22	107.6859	0.134	28	107.8098	0.275	37	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]N[5,6]C[6]H)(CH3)(H)	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]N[5,6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C(C[5]C[5,5]C[5,6]H)(H)3	H(C[5]C[5,5]C[5,6]C)	108.6540	0.000	1	108.6540	0.000	1	107.8098	0.275	37	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]Cl2)(CClHH)(H)	C(C[5]C[5,5]C[5]H)(Cl)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]Cl2)(CClHH)(H){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]H)(Cl)(H)2	H(C[5]C[5,5]C[5]C)	107.8410	0.000	2	107.8410	0.000	2	107.8410	0.000	2	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(CF3)(H)	C(C[5]C[5,5]C[5]H)(F)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(CF3)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,5]C[5]H)(F)3	H(C[5]C[5,5]C[5]C)	105.4100	0.000	1	105.4100	0.000	1	105.4100	0.000	1	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	110.5890	0.000	1	110.5890	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.0060	0.000	1	108.0060	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.6160	0.000	1	107.6160	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.3270	0.000	2	108.1433	0.034	6	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.0437	0.188	3	108.1433	0.034	6	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){3|H<1>,4|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.0750	0.000	1	108.1433	0.034	6	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H){1|B<4>,1|H<1>,1|O<3>,4|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.3715	0.702	2	108.3715	0.493	2	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O[5]H)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O[5]H)(CH3)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	109.6790	0.000	1	109.6790	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)(CH3)(H){1|H<1>,4|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.5300	0.000	1	107.5300	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CN)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CN)(CH3)(H){1|H<1>,4|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.7590	0.000	1	108.7590	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	106.7210	0.000	1	106.8275	0.023	2	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	106.9340	0.000	1	106.8275	0.023	2	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]CW)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]CW)(CH3)(H){1|W<6>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.0150	0.000	1	108.0150	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|N<3>,5|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	111.1640	0.000	1	111.1640	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	109.7820	0.000	1	108.4520	1.328	3	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.7500	0.000	1	108.4520	1.328	3	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.8240	0.000	1	108.4520	1.328	3	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	109.3390	0.000	1	109.3390	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(CH3)(H){1|C<3>,1|N<2>,3|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	110.4430	0.959	2	110.4430	0.919	2	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.2710	0.000	1	108.2710	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	109.0000	0.000	1	108.8780	0.030	2	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.7560	0.000	1	108.8780	0.030	2	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.0700	0.000	1	110.3185	10.112	2	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H){4|C<4>,4|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	112.5670	0.000	1	110.3185	10.112	2	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,1|O<2>,4|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.0720	0.000	1	108.0720	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H){1|H<1>,4|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	106.6840	0.000	1	106.6840	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	110.6520	0.000	1	110.6520	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|O<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.5285	0.016	2	107.5285	0.000	2	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]SiH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]SiH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.4000	0.168	2	107.4000	0.028	2	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	108.3795	0.214	2	108.3795	0.046	2	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.4150	0.000	1	107.4150	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(CH3)(H){3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.7640	0.000	1	107.7640	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)(H){1|H<1>,5|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	106.0550	0.000	1	106.0550	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(CH3)(H){1|H<1>,5|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	106.1130	0.000	1	106.1130	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.7480	0.000	1	107.7480	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	109.5048	0.830	4	109.5048	0.689	4	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	110.2470	0.000	1	110.2470	0.000	1	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(CH3)(H){1|C<3>,1|C<4>,2|O<2>}	C(C[5]C[5,5]C[5]H)(H)3	H(C[5]C[5,5]C[5]C)	107.1055	0.125	2	107.1055	0.016	2	108.4491	1.848	50	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(CH3)(H)	C(C[5]C[5,6,6]C[5,5]H)(H)3	H(C[5]C[5,6,6]C[5,5]C)	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(CH3)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C(C[5]C[5,6,6]C[5,5]H)(H)3	H(C[5]C[5,6,6]C[5,5]C)	107.7505	0.487	2	107.7505	0.237	2	107.7505	0.237	2	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6,6]C[5]H)(H)3	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[5,6,6]C[5]H)(H)3	H(C[5]C[5,6,6]C[5]C)	108.7520	0.252	2	108.7520	0.063	2	107.6676	0.767	7	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6,6]C[5]H)(H)3	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[5]C[5,6,6]C[5]H)(H)3	H(C[5]C[5,6,6]C[5]C)	107.6345	0.757	2	107.2338	0.311	5	107.6676	0.767	7	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6,6]C[5]H)(H)3	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[5]C[5,6,6]C[5]H)(H)3	H(C[5]C[5,6,6]C[5]C)	107.0690	0.000	1	107.2338	0.311	5	107.6676	0.767	7	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6,6]C[5]H)(H)3	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C(C[5]C[5,6,6]C[5]H)(H)3	H(C[5]C[5,6,6]C[5]C)	106.6690	0.000	1	107.2338	0.311	5	107.6676	0.767	7	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6,6]C[5]H)(H)3	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	C(C[5]C[5,6,6]C[5]H)(H)3	H(C[5]C[5,6,6]C[5]C)	107.1620	0.000	1	107.2338	0.311	5	107.6676	0.767	7	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(CF3)(H)	C(C[5]C[5,6]2H)(F)3	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(CF3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C(C[5]C[5,6]2H)(F)3	H(C[5]C[5,6]2C)	106.3890	0.000	1	106.3890	0.000	1	106.3890	0.000	1	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Fe)2(CH3)(H)	C(C[5]C[5,6]2H)(H)3	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6]C[6]Fe)2(CH3)(H){6|C<4>}	C(C[5]C[5,6]2H)(H)3	H(C[5]C[5,6]2C)	103.2860	0.000	1	103.2860	0.000	1	104.7020	4.010	2	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5,6]C[6]2O[5])(CH3)(H)	C(C[5]C[5,6]2H)(H)3	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6]N[6]H)(C[5,6]C[6]2O[5])(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6]2H)(H)3	H(C[5]C[5,6]2C)	106.1180	0.000	1	106.1180	0.000	1	104.7020	4.010	2	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	106.8230	0.000	1	106.8230	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.8240	1.235	3	108.8240	1.524	3	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]S)(C[5]N[5,5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5,6]C[6]S)(C[5]N[5,5]HH)(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.7470	0.035	2	107.7470	0.001	2	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	106.5685	0.029	2	106.5685	0.001	2	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.9445	0.029	2	108.4108	0.291	4	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.8770	0.037	2	108.4108	0.291	4	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){1|H<1>,1|O<1>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.9880	0.000	1	108.2957	2.222	3	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.7210	0.000	1	108.2957	2.222	3	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.1780	0.000	1	108.2957	2.222	3	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]N[5,6]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	106.6820	0.000	1	106.6820	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.8160	0.000	1	107.8160	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.9170	0.000	1	107.9170	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	105.1000	0.000	1	105.1000	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.7970	0.000	1	108.7970	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	110.2805	0.128	2	110.2805	0.016	2	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.5070	0.000	1	106.9974	1.677	13	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	106.8710	0.413	2	106.9974	1.677	13	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.6847	1.169	3	106.9974	1.677	13	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|N<2>,2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	106.1820	0.000	1	106.9974	1.677	13	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	105.8730	0.000	1	106.9974	1.677	13	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	106.8980	0.000	1	106.9974	1.677	13	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	106.1775	1.118	4	106.9974	1.677	13	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]N[5]HH)(CH3)(H){1|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	111.2240	0.000	1	111.2240	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]O[5]HH)(CH3)(H){1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.8045	3.130	2	109.8045	9.799	2	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.0673	1.139	3	108.0673	1.298	3	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(CH3)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.6730	0.000	1	107.6730	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.3130	0.000	1	109.3130	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.0890	0.000	1	109.0890	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.6090	0.000	2	108.6090	0.000	2	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.2060	0.190	2	108.9848	1.817	18	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	106.9630	0.004	2	108.9848	1.817	18	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,5|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	111.5980	0.000	1	108.9848	1.817	18	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.4445	0.399	8	108.9848	1.817	18	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.6550	0.000	1	108.9848	1.817	18	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	110.7753	1.119	3	108.9848	1.817	18	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.2530	0.000	1	108.9848	1.817	18	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|O<2>,5|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.6670	0.000	1	107.9905	0.209	2	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.3140	0.000	1	107.9905	0.209	2	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.7320	0.000	1	108.8905	0.050	2	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.0490	0.000	1	108.8905	0.050	2	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	101.6070	0.000	1	105.0520	23.736	2	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H){2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.4970	0.000	1	105.0520	23.736	2	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CH3)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	105.7900	0.000	1	105.7900	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.8255	0.192	2	107.9813	2.156	3	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	106.2930	0.000	1	107.9813	2.156	3	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[6a]O[5]H)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,4|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.3860	0.000	1	109.3860	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.9110	0.000	1	107.9110	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.7890	0.000	1	108.7890	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.8630	0.000	1	109.8630	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.0830	0.000	1	108.0830	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H){1|H<1>,4|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.5990	0.000	1	108.5990	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H){1|O<2>,2|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.7310	0.000	1	108.7310	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.6610	0.000	1	107.6610	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.4705	0.040	2	108.4705	0.002	2	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H){1|H<1>,5|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	108.5440	0.000	1	109.6575	2.480	2	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	110.7710	0.000	1	109.6575	2.480	2	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]CH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]CH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.7700	0.000	1	107.7700	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	107.0230	0.000	1	107.0230	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	109.2810	0.000	1	109.2810	0.000	1	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H){2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	H(C[5]C[5,6]C[5]C)	106.3685	0.131	2	106.3685	0.017	2	108.1763	2.506	91	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:Si[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	C(C[5]C[5,6]Si[5]H)(H)3	H(C[5]C[5,6]Si[5]C)	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5,6]Si[5]H)(H)3	H(C[5]C[5,6]Si[5]C)	107.2290	0.000	1	107.7485	0.540	2	107.7485	0.540	2	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:Si[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	C(C[5]C[5,6]Si[5]H)(H)3	H(C[5]C[5,6]Si[5]C)	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6]Si[5]H)(H)3	H(C[5]C[5,6]Si[5]C)	108.2680	0.000	1	107.7485	0.540	2	107.7485	0.540	2	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CBrHH)(H)	C(C[5]C[5]2H)(Br)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CBrHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(Br)(H)2	H(C[5]C[5]2C)	109.2765	1.554	2	109.2765	2.413	2	109.2765	2.413	2	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CClHH)(H)	C(C[5]C[5]2H)(Cl)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CClHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(Cl)(H)2	H(C[5]C[5]2C)	110.4325	0.023	2	110.4325	0.001	2	109.3376	1.475	5	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]Cl2)(C[5]N[5]HH)(CClHH)(H)	C(C[5]C[5]2H)(Cl)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]Cl2)(C[5]N[5]HH)(CClHH)(H){1|C<4>,1|H<1>,1|S<4>}	C(C[5]C[5]2H)(Cl)(H)2	H(C[5]C[5]2C)	108.0735	0.439	2	108.0735	0.193	2	109.3376	1.475	5	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CClHH)(H)	C(C[5]C[5]2H)(Cl)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CClHH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5]2H)(Cl)(H)2	H(C[5]C[5]2C)	109.6760	0.000	1	109.6760	0.000	1	109.3376	1.475	5	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[4,5]CH)(C[5]S[5]HH)(CF3)(H)	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	C[5](C[5]C[4,5]CH)(C[5]S[5]HH)(CF3)(H){2|C<4>}	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	107.4950	0.000	1	107.4950	0.000	1	108.0848	1.963	14	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CF3)(H)	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CF3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	109.2960	0.000	1	109.2960	0.000	1	108.0848	1.963	14	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(H)	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(H){1|H<1>,2|C<3>}	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	106.4673	1.303	3	106.4673	1.697	3	108.0848	1.963	14	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CF3)(H)	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CF3)(H){2|C<3>}	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	107.3650	0.000	1	107.3650	0.000	1	108.0848	1.963	14	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CF3)(H)	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CF3)(H){1|O<1>,1|O<2>}	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	107.2565	1.290	2	107.2565	1.665	2	108.0848	1.963	14	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(H)	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(H){1|C<3>}	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	108.9710	0.000	1	108.9710	0.000	1	108.0848	1.963	14	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	108.4400	0.000	1	108.9937	0.157	4	108.0848	1.963	14	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|C<3>}	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	109.3170	0.000	1	108.9937	0.157	4	108.0848	1.963	14	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|H<1>,2|C<3>}	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	108.9810	0.000	1	108.9937	0.157	4	108.0848	1.963	14	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|O<1>,1|S<4>}	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	109.2370	0.000	1	108.9937	0.157	4	108.0848	1.963	14	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(CF3)(H)	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(CF3)(H){1|O<1>,2|C<3>}	C(C[5]C[5]2H)(F)3	H(C[5]C[5]2C)	110.1700	0.000	1	110.1700	0.000	1	108.0848	1.963	14	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]C[5]HP)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]B[5]HH)(C[5]C[5]HP)(CH3)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.7040	0.000	1	109.7040	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HO)(C[5]C[3,5]HN)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[3,5,6]HO)(C[5]C[3,5]HN)(CH3)(H){1|C<3>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.2270	0.000	1	108.2270	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	102.4017	5.452	2	102.4017	29.727	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)(CH3)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	105.2670	0.249	2	105.2670	0.062	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.5310	0.000	1	109.5310	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H){1|C<3>,1|O<2>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.3035	0.149	4	108.3035	0.022	4	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.8840	0.351	2	108.8840	0.123	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.5010	0.221	2	108.5010	0.049	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)(H){1|C<3>,1|N<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.9940	0.000	1	107.9940	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)2(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.4600	0.000	1	107.4600	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.3740	0.000	1	107.3740	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.4615	0.122	2	109.4615	0.015	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(CH3)(H){1|H<1>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.7090	0.000	1	108.7090	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(CH3)(H){1|C<3>,1|S<2>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.2240	0.000	1	109.2240	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.0980	0.000	1	108.0980	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)2(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6,6]HH)2(CH3)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	103.3980	0.000	1	103.3980	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.6088	0.639	4	108.5622	0.317	5	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.3760	0.000	1	108.5622	0.317	5	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]O[5]HH)(CH3)(H){1|C<4>,1|O<2>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.9740	0.399	2	108.9740	0.159	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	106.5777	0.768	15	106.5777	0.590	15	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.3360	0.000	1	109.3360	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.3545	0.132	2	108.3545	0.017	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.4240	0.000	1	108.7995	0.282	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.1750	0.000	1	108.7995	0.282	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.2670	0.000	1	108.2670	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)2(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HO)2(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.5595	0.400	2	107.5595	0.160	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HS)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HS)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.0700	0.000	1	109.0700	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]OsC)(C[5]C[5,6]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6]OsC)(C[5]C[5,6]CH)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	106.6770	0.000	1	106.6770	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.1030	0.000	1	109.1030	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.8250	0.000	1	107.8250	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.2012	1.712	6	108.2012	2.930	6	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.6405	0.176	2	107.6405	0.031	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.0620	0.000	1	108.0620	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.5580	0.000	1	109.5580	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.0115	0.359	2	108.0115	0.129	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]P[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]BH)(C[5]P[5]HH)(CH3)(H){1|B<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.7410	0.161	2	108.7410	0.026	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H){4|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	106.0070	0.234	4	106.0070	0.055	4	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H){1|N<2>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.2330	0.000	1	107.0240	0.087	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H){1|N<3>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	106.8150	0.000	1	107.0240	0.087	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.9340	0.000	1	108.9340	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<2>,1|S<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.1810	0.000	1	108.9856	1.281	25	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.2910	0.000	1	108.9856	1.281	25	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.6672	0.133	4	108.9856	1.281	25	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.4410	0.000	1	108.9856	1.281	25	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.7570	0.237	3	108.9856	1.281	25	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.8644	0.971	9	108.9856	1.281	25	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.2060	0.000	1	108.9856	1.281	25	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.1575	2.024	2	108.9856	1.281	25	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.6720	0.270	2	108.9856	1.281	25	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.1420	0.000	1	108.9856	1.281	25	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.2740	0.000	1	107.8685	2.659	4	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	106.7970	0.000	1	107.8685	2.659	4	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|O<2>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.2015	0.390	2	107.8685	2.659	4	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H){1|O<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.3715	1.486	2	107.8930	1.919	3	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.9360	0.000	1	107.8930	1.919	3	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CH3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.1530	1.227	3	108.1530	1.506	3	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.2045	0.216	2	108.6636	0.378	8	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.9610	0.594	5	108.6636	0.378	8	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.0950	0.000	1	108.6636	0.378	8	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.9760	0.000	1	107.9760	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(H){1|O<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.5960	0.000	1	107.5960	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.2820	0.000	1	107.2820	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.8405	0.480	2	107.8405	0.231	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6]H)(C[5]O[5]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.1120	0.000	1	110.1120	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H){1|C<3>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	100.9017	0.333	3	102.5613	11.091	4	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.5400	0.000	1	102.5613	11.091	4	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.0801	0.564	24	107.9563	0.399	32	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.3635	0.131	2	107.9563	0.399	32	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.4737	0.654	4	107.9563	0.399	32	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.0290	0.626	2	107.9563	0.399	32	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.7570	0.000	1	109.7570	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.5540	0.829	2	109.3013	0.535	3	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H){1|H<1>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.7960	0.000	1	109.3013	0.535	3	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.9770	0.000	1	107.9770	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.9930	0.000	1	108.9940	2.213	5	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|H<1>,1|S<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.1020	0.000	1	108.9940	2.213	5	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|O<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.1305	2.384	2	108.9940	2.213	5	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.6140	0.000	1	108.9940	2.213	5	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.9502	0.495	8	107.9502	0.245	8	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.2740	0.518	2	109.2740	0.268	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.6500	0.000	1	108.3753	1.104	8	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.8310	0.000	1	108.3753	1.104	8	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CH3)(H){4|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.2535	0.999	6	108.3753	1.104	8	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H){1|O<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.9455	1.452	2	110.9455	2.107	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.6405	1.289	2	108.6373	0.789	6	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<3>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.5220	0.000	1	108.6373	0.789	6	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.9030	0.000	1	108.6373	0.789	6	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|H<1>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.0590	0.031	2	108.6373	0.789	6	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.6420	0.454	2	104.8302	43.692	3	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H){1|H<1>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	97.2066	0.000	1	104.8302	43.692	3	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.6950	1.331	2	108.6248	0.986	4	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.5545	1.080	2	108.6248	0.986	4	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HP)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|O<2>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.2340	0.000	1	107.2340	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.3070	0.000	1	109.3070	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.6380	0.000	1	108.6380	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]2H)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]2H)(CH3)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.5990	0.000	1	107.5990	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.6850	0.000	1	109.6850	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.8885	0.346	2	109.8885	0.120	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]OsC)(C[5]P[5]OsH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]OsC)(C[5]P[5]OsH)(CH3)(H){1|Os<4>,1|C<3>,1|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.7360	0.000	1	109.7360	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.6680	1.946	3	108.6680	3.786	3	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H){1|O<1>,4|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.3530	0.000	1	107.3525	0.000	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H){2|H<1>,4|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.3520	0.000	1	107.3525	0.000	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]B[5]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]B[5]H)(C[5]C[5]HH)(CH3)(H){1|B<3>,1|H<1>,3|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.2630	0.000	1	108.2630	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.4020	0.000	1	109.4020	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.8200	0.112	2	108.8200	0.012	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)(H){1|O<1>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.7610	0.000	1	108.7610	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.7988	1.289	5	108.7988	1.661	5	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.0590	0.000	1	110.0590	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.3513	0.904	3	108.3876	1.479	16	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.7292	1.155	8	108.3876	1.479	16	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|O<1>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	109.4626	0.699	5	108.3876	1.479	16	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.0470	0.000	1	107.7080	0.230	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	107.3690	0.000	1	107.7080	0.230	2	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H){2|C<3>,2|C<4>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.9740	0.000	1	108.9740	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]Se[5]H)(C[5]P[5]HN)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[6a]Se[5]H)(C[5]P[5]HN)(CH3)(H){1|Se<1>,3|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	108.5350	0.000	1	108.5350	0.000	1	108.0923	2.927	251	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]HH)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.8690	0.000	1	108.8690	0.000	1	109.2014	0.251	8	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.3380	0.000	1	109.0337	0.396	3	109.2014	0.251	8	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H){4|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.8815	0.808	2	109.0337	0.396	3	109.2014	0.251	8	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.7570	0.000	1	109.7570	0.000	1	109.2014	0.251	8	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]PdC)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]PdC)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	109.4760	0.485	2	109.4760	0.235	2	109.2014	0.251	8	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H){1|N<3>,1|O<2>,3|C<3>}	C(C[5]C[5]N[5]H)(H)3	H(C[5]C[5]N[5]C)	108.9320	0.000	1	108.9320	0.000	1	109.2014	0.251	8	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]N[5]H)(H)2(O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(H)2(O)	H(C[5]C[5]N[5]C)	108.9490	0.000	1	108.9490	0.000	1	108.9490	0.000	1	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CH3)(H){1|Si<4>,2|C<3>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	105.5880	0.000	1	105.5880	0.000	1	107.5238	0.894	22	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]C[5]BC)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](C[5]C[5]HH)(P[5]C[5]BC)(CH3)(H){4|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	108.1450	0.000	1	108.1450	0.000	1	107.5238	0.894	22	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]C[5]CW)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](C[5]C[5]HH)(P[5]C[5]CW)(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.5896	0.875	20	107.5896	0.766	20	107.5238	0.894	22	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	N[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]O[5]HH)(CH3)(H)	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]O[5]HH)(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	107.0400	0.000	1	107.0400	0.000	1	107.3490	0.191	2	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	N[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(H)	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(H){2|C<4>,5|H<1>}	C(C[5]N[5,5]C[5]H)(H)3	H(C[5]N[5,5]C[5]C)	107.6580	0.000	1	107.6580	0.000	1	107.3490	0.191	2	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	N[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,6]B[5,5,6]B[6]C)(C[5]N[5,5]HH)(CH3)(H)	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]B[5,5,6]B[6]C)(C[5]N[5,5]HH)(CH3)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	107.5580	0.000	1	107.5580	0.000	1	108.4290	1.517	2	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	N[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<4>,5|H<1>}	C(C[5]N[5,6]C[5]H)(H)3	H(C[5]N[5,6]C[5]C)	109.3000	0.000	1	109.3000	0.000	1	108.4290	1.517	2	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	109.7770	0.000	1	109.7770	0.000	1	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]2Pd)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]2Pd)(C[5]C[5]HH)(CH3)(H){1|Fe<10>,3|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	108.2040	0.179	4	108.2040	0.032	4	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H){1|Fe<10>,3|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.8268	0.543	12	107.7599	0.239	16	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.5593	0.200	4	107.7599	0.239	16	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]2Se)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]2Se)(C[5]C[5]HH)(CH3)(H){1|Fe<10>,3|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.7548	0.365	4	107.7548	0.134	4	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]C[6]Pd)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]C[6]Pd)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	106.9595	1.087	4	106.9595	1.181	4	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	105.5580	2.175	2	106.9853	4.436	4	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	108.4125	0.654	2	106.9853	4.436	4	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]NiC)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]NiC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	108.0504	0.640	8	108.0504	0.410	8	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]PdC)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]PdC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.3858	1.777	12	107.3858	3.157	12	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.5032	0.489	46	107.5032	0.239	46	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.2578	1.074	49	107.2578	1.152	49	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[5a]C[5]O)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[5a]C[5]O)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	108.9940	0.061	2	108.9940	0.004	2	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H){1|N<2>,6|C<3>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	108.1880	0.000	1	108.2000	0.184	3	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H){1|O<1>,6|C<3>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.7770	0.000	1	108.2000	0.184	3	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H){1|O<2>,6|C<3>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	108.6350	0.000	1	108.2000	0.184	3	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Co)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Co)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.4450	1.276	4	107.4450	1.628	4	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.1310	0.993	8	107.1310	0.986	8	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.8370	0.708	6	107.8370	0.502	6	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Ni)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Ni)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.2368	0.366	4	107.2368	0.134	4	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.0610	1.100	2	107.8282	1.190	4	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	108.5955	0.077	2	107.8282	1.190	4	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.2001	0.594	22	107.2001	0.353	22	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	106.8430	0.915	70	106.8430	0.837	70	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	106.9594	0.675	22	106.9594	0.456	22	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Ru)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Ru)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.0448	1.469	63	107.0448	2.157	63	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	107.4472	0.608	4	108.1200	1.483	6	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	109.4655	0.936	2	108.1200	1.483	6	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]W)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]W)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	H(C[5]C[5]P[5]C)	106.9349	0.561	11	106.9349	0.315	11	107.2477	1.131	373	107.7816	2.087	952	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[3,5]C[5]H)(OH)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CHHO)(H){1|N<3>,2|H<1>}	C(C[5]C[3,5]C[5]H)(OH)(H)2	H(C[5]C[3,5]C[5]C)	105.6910	0.000	1	105.6910	0.000	1	105.6910	0.000	1	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]2N[5])(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[3x5]C[5]H)(OC)(H)2	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[5,5]2N[5])(C[5]C[5]HH)(CHHO)(H){1|C<3>,4|C<4>,4|H<1>}	C(C[5]C[3x5]C[5]H)(OC)(H)2	H(C[5]C[3x5]C[5]C)	106.8275	0.136	2	106.8275	0.019	2	106.8275	0.019	2	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[3,5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[3,5]C[3]2O[5])(CHHO)(H)	C(C[5]C[3,5]C[5,5]H)(OH)(H)2	H(C[5]C[3,5]C[5,5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[3,5]C[3]2O[5])(CHHO)(H){1|O<2>,2|C<4>,5|H<1>}	C(C[5]C[3,5]C[5,5]H)(OH)(H)2	H(C[5]C[3,5]C[5,5]C)	108.8950	0.151	2	108.8950	0.023	2	108.8950	0.023	2	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(H)	C(C[5]C[5,5]C[5]H)(OC)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	C(C[5]C[5,5]C[5]H)(OC)(H)2	H(C[5]C[5,5]C[5]C)	106.4380	0.000	1	106.4380	0.000	1	107.9762	2.798	10	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H)	C(C[5]C[5,5]C[5]H)(OC)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H){2|C<3>,5|H<1>}	C(C[5]C[5,5]C[5]H)(OC)(H)2	H(C[5]C[5,5]C[5]C)	108.0470	0.000	1	108.0470	0.000	1	107.9762	2.798	10	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHHO)(H)	C(C[5]C[5,5]C[5]H)(OC)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5,5]C[5]H)(OC)(H)2	H(C[5]C[5,5]C[5]C)	110.4270	0.000	1	110.4270	0.000	1	107.9762	2.798	10	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CHHO)(H)	C(C[5]C[5,5]C[5]H)(ON[6])(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[5]C[5,5]C[5]H)(ON[6])(H)2	H(C[5]C[5,5]C[5]C)	109.3850	0.000	1	109.3850	0.000	1	107.9762	2.798	10	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(CHHO)(H)	C(C[5]C[5,5]C[5]H)(OH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]C[5]H)(OH)(H)2	H(C[5]C[5,5]C[5]C)	108.3140	0.000	1	108.3140	0.000	1	107.9762	2.798	10	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CHHO)(H)	C(C[5]C[5,5]C[5]H)(OS)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5,5]C[5]H)(OS)(H)2	H(C[5]C[5,5]C[5]C)	109.4620	0.000	1	109.4620	0.000	1	107.9762	2.798	10	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H)	C(C[5]C[5,5]C[5]H)(OH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C(C[5]C[5,5]C[5]H)(OH)(H)2	H(C[5]C[5,5]C[5]C)	105.3970	0.000	1	105.5080	0.025	2	107.9762	2.798	10	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H)	C(C[5]C[5,5]C[5]H)(OH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[5]C[5,5]C[5]H)(OH)(H)2	H(C[5]C[5,5]C[5]C)	105.6190	0.000	1	105.5080	0.025	2	107.9762	2.798	10	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5,5]C[5]H)(OC)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CHHO)(H){3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5]H)(OC)(H)2	H(C[5]C[5,5]C[5]C)	108.3365	0.166	2	108.3365	0.028	2	107.9762	2.798	10	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	108.3620	0.000	1	108.3620	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	106.2350	0.000	1	106.2350	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	107.5730	0.000	1	107.5730	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	109.3450	0.000	1	109.3450	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	108.1535	0.194	2	108.1535	0.038	2	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	108.7520	0.000	1	108.7520	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	108.1610	0.000	1	108.1610	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	108.1525	0.530	2	108.1525	0.281	2	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	109.6920	0.000	1	109.6920	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H){2|C<4>,6|H<1>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	109.1800	0.000	1	109.1800	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	107.7410	0.000	1	107.7410	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	107.5720	0.000	1	107.5720	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H){1|C<4>,3|C<3>}	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	108.7640	0.000	1	108.7640	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	108.6865	1.480	2	108.6865	2.190	2	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	109.5810	0.727	2	109.5810	0.528	2	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	108.4230	0.000	1	108.4230	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H){1|C<3>,4|C<4>}	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	108.8960	0.000	1	108.8960	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H){1|C<3>,4|C<4>}	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	109.6340	0.000	1	109.6340	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H){3|C<4>,7|H<1>}	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(C[5]C[5,6]C[5]C)	110.1520	0.000	1	110.1520	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(C[5]C[5,6]C[5]C)	110.8960	0.000	1	110.8960	0.000	1	108.6885	1.099	24	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:N[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H)	C(C[5]C[5,6]N[5]H)(OH)(H)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]N[5]H)(OH)(H)2	H(C[5]C[5,6]N[5]C)	106.4750	0.000	1	106.4750	0.000	1	106.4750	0.000	1	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H)	C(C[5]C[5]2H)(CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(CC)(H)2	H(C[5]C[5]2C)	108.2260	0.468	2	108.2260	0.219	2	108.0600	0.192	3	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|C<2>,1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CC)(H)2	H(C[5]C[5]2C)	107.7280	0.000	1	107.7280	0.000	1	108.0600	0.192	3	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H)	C(C[5]C[5]2H)(NN)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]2H)(NN)(H)2	H(C[5]C[5]2C)	107.8870	0.000	1	107.7895	0.019	2	108.1174	0.222	5	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H)	C(C[5]C[5]2H)(NN)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5]2H)(NN)(H)2	H(C[5]C[5]2C)	107.6920	0.000	1	107.7895	0.019	2	108.1174	0.222	5	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHN)(H)	C(C[5]C[5]2H)(NN)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHN)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C(C[5]C[5]2H)(NN)(H)2	H(C[5]C[5]2C)	107.7540	0.000	1	107.7540	0.000	1	108.1174	0.222	5	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H)	C(C[5]C[5]2H)(NN)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5]2H)(NN)(H)2	H(C[5]C[5]2C)	108.6080	0.000	1	108.6270	0.001	2	108.1174	0.222	5	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H)	C(C[5]C[5]2H)(NN)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H){1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5]2H)(NN)(H)2	H(C[5]C[5]2C)	108.6460	0.000	1	108.6270	0.001	2	108.1174	0.222	5	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CHHO)(H)	C(C[5]C[5]2H)(ON[6])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5]2H)(ON[6])(H)2	H(C[5]C[5]2C)	107.9040	0.000	1	107.9040	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CHHO)(H){1|C<4>,1|O<2>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	109.3880	0.000	1	109.3880	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H){1|H<1>,4|C<3>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	108.4827	0.535	4	108.4827	0.286	4	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	109.0900	0.000	1	109.0900	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHHO)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	109.1625	0.282	2	109.1625	0.080	2	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H){2|C<3>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	109.0570	0.000	1	109.0570	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	108.1320	0.000	2	107.9587	0.090	3	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	107.6120	0.000	1	107.9587	0.090	3	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	107.4660	0.113	2	107.4660	0.013	2	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H)	C(C[5]C[5]2H)(OC[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	C(C[5]C[5]2H)(OC[5])(H)2	H(C[5]C[5]2C)	105.8970	0.000	1	105.8970	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CC)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]O[5]CC)(CHHO)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	106.3605	0.049	2	106.3605	0.002	2	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	109.8750	0.000	1	109.8750	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H){4|H<1>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	106.6630	0.000	1	106.6630	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	105.8110	0.000	1	107.1663	1.519	3	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H){1|O<1>,2|C<4>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	107.8440	0.532	2	107.1663	1.519	3	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHO)(H){1|O<1>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	110.5300	0.000	1	110.5300	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]C[5]HH)(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	108.3460	0.000	1	108.3460	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	108.4103	0.814	3	108.4103	0.662	3	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H){1|H<1>,1|N<3>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	107.0730	0.000	2	107.0730	0.000	2	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	108.6730	0.000	1	108.6730	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	109.8640	0.000	1	109.8640	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	108.1070	0.000	1	108.1070	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	109.4087	0.281	3	108.8723	1.204	4	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	107.2630	0.000	1	108.8723	1.204	4	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	C(C[5]C[5]2H)(OSi)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(OSi)(H)2	H(C[5]C[5]2C)	108.8750	0.000	1	108.8750	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHO)(H){1|C<3>,1|H<1>,1|S<4>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	109.0950	0.000	1	109.0950	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	109.0040	1.222	2	109.0040	1.493	2	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H)	C(C[5]C[5]2H)(OS)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>}	C(C[5]C[5]2H)(OS)(H)2	H(C[5]C[5]2C)	109.5610	0.000	1	109.5610	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	108.7800	0.000	1	108.7800	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	108.5000	0.000	1	108.5000	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	108.9955	0.564	2	108.9955	0.318	2	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	110.0100	0.000	1	110.0100	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<2>,2|H<1>,3|C<3>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	108.4430	0.298	2	108.4430	0.089	2	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H){3|H<1>,5|C<3>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	109.4970	0.000	1	109.4970	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H)	C(C[5]C[5]2H)(OS)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H){1|S<4>,2|C<3>,2|H<1>}	C(C[5]C[5]2H)(OS)(H)2	H(C[5]C[5]2C)	108.3060	0.218	2	108.3060	0.047	2	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	110.5850	0.000	1	110.5850	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	110.0100	0.000	1	110.0100	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H){3|C<3>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	107.7860	0.000	1	107.7860	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	109.9310	0.000	1	110.6277	0.364	3	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(OC)(H)2	H(C[5]C[5]2C)	110.9760	0.000	2	110.6277	0.364	3	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]FF)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]FF)(CHHO)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(OH)(H)2	H(C[5]C[5]2C)	107.8920	0.000	1	107.8920	0.000	1	108.5681	1.409	59	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHS)(H)	C(C[5]C[5]2H)(SC[6a])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHS)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(SC[6a])(H)2	H(C[5]C[5]2C)	107.4990	0.000	1	107.4990	0.000	1	105.9003	9.512	3	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(CHHS)(H)	C(C[5]C[5]2H)(SC[6a])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)2(CHHS)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(SC[6a])(H)2	H(C[5]C[5]2C)	102.3450	0.000	1	102.3450	0.000	1	105.9003	9.512	3	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHS)(H)	C(C[5]C[5]2H)(SC[6a])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHS)(H){4|H<1>}	C(C[5]C[5]2H)(SC[6a])(H)2	H(C[5]C[5]2C)	107.8570	0.000	1	107.8570	0.000	1	105.9003	9.512	3	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHN)(H)	C(C[5]C[5]N[5]H)(NN)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHN)(H){1|O<2>,3|H<1>}	C(C[5]C[5]N[5]H)(NN)(H)2	H(C[5]C[5]N[5]C)	109.9630	0.000	1	109.9630	0.000	1	109.9630	0.000	1	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	107.2900	0.000	1	107.2900	0.000	1	109.2505	0.819	11	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	108.4975	0.295	2	108.4975	0.087	2	109.2505	0.819	11	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	109.4700	0.468	2	109.4700	0.219	2	109.2505	0.819	11	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.3160	0.000	1	109.3160	0.000	1	109.2505	0.819	11	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.6303	0.514	3	109.6303	0.264	3	109.2505	0.819	11	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	110.4620	0.000	1	110.4620	0.000	1	109.2505	0.819	11	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.8620	0.000	1	109.8620	0.000	1	109.2505	0.819	11	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H)	C(C[5]C[5]N[5]H)(SC[5a])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H){4|H<1>}	C(C[5]C[5]N[5]H)(SC[5a])(H)2	H(C[5]C[5]N[5]C)	109.4810	0.000	1	109.4810	0.000	1	109.2023	0.248	3	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H)	C(C[5]C[5]N[5]H)(SC[6])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H){4|H<1>}	C(C[5]C[5]N[5]H)(SC[6])(H)2	H(C[5]C[5]N[5]C)	108.6270	0.000	1	108.6270	0.000	1	109.2023	0.248	3	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H)	C(C[5]C[5]N[5]H)(SC[6a])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H){4|H<1>}	C(C[5]C[5]N[5]H)(SC[6a])(H)2	H(C[5]C[5]N[5]C)	109.4990	0.000	1	109.4990	0.000	1	109.2023	0.248	3	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	N[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	C(C[5]N[5,6]C[5]H)(OH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]N[5,6]C[5]H)(OH)(H)2	H(C[5]N[5,6]C[5]C)	108.4740	0.000	1	108.4740	0.000	1	108.4740	0.000	1	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OH)(H)2	H(C[5]C[5]N[5]C)	109.1843	0.725	6	109.1843	0.525	6	109.0809	0.420	8	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	H(C[5]C[5]N[5]C)	108.7705	0.240	2	108.7705	0.057	2	109.0809	0.420	8	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]P[5]H)(OH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CHHO)(H){2|C<3>,4|H<1>}	C(C[5]C[5]P[5]H)(OH)(H)2	H(C[5]C[5]P[5]C)	108.5040	0.000	1	108.5040	0.000	1	108.5040	0.000	1	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:1:1:	4:	S[5]-4:S[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:	C[5](S[5]C[5]OO)2(CHHO)(H)	C(C[5]S[5]2H)(OC)(H)2	H(C[5]S[5]2C)	C[5](S[5]C[5]OO)2(CHHO)(H){4|H<1>}	C(C[5]S[5]2H)(OC)(H)2	H(C[5]S[5]2C)	111.5865	1.398	2	111.5865	1.954	2	111.5865	1.954	2	108.5548	1.769	137	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:O-2:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H)	C(C[5]C[5,6,6]C[5]H)(OC)(OO)(H)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[5]C[5,6,6]C[5]H)(OC)(OO)(H)	H(C[5]C[5,6,6]C[5]C)	105.9360	0.000	1	105.9360	0.000	1	105.9360	0.000	1	107.8488	4.439	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]CS)(C[5]N[5,6]CH)(CHOO)(H)	C(C[5]C[5]2H)(OC)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CS)(C[5]N[5,6]CH)(CHOO)(H){1|H<1>,2|C<3>}	C(C[5]C[5]2H)(OC)2(H)	H(C[5]C[5]2C)	104.9600	0.000	1	104.9600	0.000	1	108.2314	4.451	5	107.8488	4.439	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHOO)(H)	C(C[5]C[5]2H)(OC)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHOO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(OC)2(H)	H(C[5]C[5]2C)	109.2900	0.000	1	109.2900	0.000	1	108.2314	4.451	5	107.8488	4.439	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CHOO)(H)	C(C[5]C[5]2H)(OC)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CHOO)(H){1|C<3>,1|O<1>,2|O<2>}	C(C[5]C[5]2H)(OC)2(H)	H(C[5]C[5]2C)	109.8820	0.000	1	109.8820	0.000	1	108.2314	4.451	5	107.8488	4.439	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H)	C(C[5]C[5]2H)(OC)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H){1|H<1>,3|C<3>}	C(C[5]C[5]2H)(OC)2(H)	H(C[5]C[5]2C)	107.2680	0.000	1	107.2680	0.000	1	108.2314	4.451	5	107.8488	4.439	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H)	C(C[5]C[5]2H)(OC)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H){1|O<1>,2|C<3>}	C(C[5]C[5]2H)(OC)2(H)	H(C[5]C[5]2C)	109.7570	0.000	1	109.7570	0.000	1	108.2314	4.451	5	107.8488	4.439	6	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	H(C[5]C[5,6]C[5]C)	108.9365	0.059	2	108.9365	0.003	2	108.9365	0.003	2	108.9365	0.003	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	H(C[5]C[5,6]C[5]C)	106.9030	0.603	5	106.9030	0.364	5	106.9030	0.364	5	107.4356	1.627	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H){3|C<4>,4|H<1>}	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	H(C[5]C[5]2C)	109.5210	0.553	2	109.5210	0.306	2	108.1012	2.791	4	107.4356	1.627	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5]2H)(OC[6a])(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(OC[6a])(CH3)2	H(C[5]C[5]2C)	106.6815	0.064	2	106.6815	0.004	2	108.1012	2.791	4	107.4356	1.627	9	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	B[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](B[3,5]C[3,5]C[6a]B[3])(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[5]B[3,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]B[3,5]C[5]C)	C[5](B[3,5]C[3,5]C[6a]B[3])(C[5]C[5]HH)(CC[6a]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C(C[5]B[3,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]B[3,5]C[5]C)	109.6520	0.000	1	109.6520	0.000	1	109.6520	0.000	1	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCHH)(H)	C(C[5]C[3,5]C[5]H)(COO)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCHH)(H){3|H<1>}	C(C[5]C[3,5]C[5]H)(COO)(H)2	H(C[5]C[3,5]C[5]C)	109.7000	0.000	1	109.7000	0.000	1	109.7000	0.000	1	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH)(CC[6a]HH)(H){1|H<1>,4|C<3>}	C(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[3,5]C[5]C)	107.6140	0.000	1	107.6140	0.000	1	107.6140	0.000	1	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[4,5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[5]O[4])(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[5]C[4,5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[4,5,5]C[5]C)	C[5](C[4,5,5]C[4,5,5]C[5]O[4])(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[4,5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[4,5,5]C[5]C)	109.2960	1.534	2	109.2960	2.354	2	109.2960	2.354	2	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[4,5]N[4,5]C[4]H)(C[5]S[4,5,5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]N[4,5]C[4]H)(C[5]S[4,5,5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|C<5>,1|C<6>,1|O<2>,2|H<1>,2|O<1>}	C(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[4,5]C[5]C)	104.3000	0.000	1	104.3000	0.000	1	104.3000	0.000	1	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHH)(H)	C(C[5]C[5,5,6]C[5]H)(CCH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5,5,6]C[5]H)(CCH)(H)2	H(C[5]C[5,5,6]C[5]C)	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:S[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(S[5]C[5]OO)(CCHH)(H)	C(C[5]C[5,5,6]S[5]H)(CCH)(H)2	H(C[5]C[5,5,6]S[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(S[5]C[5]OO)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,5,6]S[5]H)(CCH)(H)2	H(C[5]C[5,5,6]S[5]C)	108.5025	0.391	2	108.5025	0.153	2	108.5025	0.153	2	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(COO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5]H)(COO)(H)2	H(C[5]C[5,5]C[5]C)	108.1430	0.000	1	108.1430	0.000	1	107.8540	1.695	14	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[5]C[5,5]C[5]H)(CCO)(H)2	H(C[5]C[5,5]C[5]C)	107.3870	0.000	1	107.3870	0.000	1	107.8540	1.695	14	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CCHH)(H){1|N<3>,1|O<2>,3|H<1>}	C(C[5]C[5,5]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,5]C[5]C)	107.2950	0.000	1	107.2950	0.000	1	107.8540	1.695	14	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(COO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(CCHH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C(C[5]C[5,5]C[5]H)(COO)(H)2	H(C[5]C[5,5]C[5]C)	109.0140	0.000	1	109.0140	0.000	1	107.8540	1.695	14	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC[5]H)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5,5]C[5]H)(CC[5]H)(H)2	H(C[5]C[5,5]C[5]C)	106.6690	0.000	1	106.6690	0.000	1	107.8540	1.695	14	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(COO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHH)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]C[5]H)(COO)(H)2	H(C[5]C[5,5]C[5]C)	109.0450	0.000	1	109.0450	0.000	1	107.8540	1.695	14	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|N<2>,2|H<1>,5|C<3>}	C(C[5]C[5,5]C[5]H)(CCO)(H)2	H(C[5]C[5,5]C[5]C)	107.9115	0.244	2	107.9115	0.060	2	107.8540	1.695	14	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(COO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C(C[5]C[5,5]C[5]H)(COO)(H)2	H(C[5]C[5,5]C[5]C)	108.0010	0.000	1	108.0010	0.000	1	107.8540	1.695	14	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(COO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,5]C[5]H)(COO)(H)2	H(C[5]C[5,5]C[5]C)	110.5600	0.000	1	110.5600	0.000	1	107.8540	1.695	14	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(CCHH)(H){3|C<4>,5|H<1>}	C(C[5]C[5,5]C[5]H)(CCH)(H)2	H(C[5]C[5,5]C[5]C)	106.1520	1.872	2	106.1520	3.506	2	107.8540	1.695	14	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C(C[5]C[5,5]C[5]H)(CC[6a]O)(H)2	H(C[5]C[5,5]C[5]C)	107.3350	0.000	1	107.3350	0.000	1	107.8540	1.695	14	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(COO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[5]C[5,5]C[5]H)(COO)(H)2	H(C[5]C[5,5]C[5]C)	108.3800	0.000	1	108.3800	0.000	1	107.8540	1.695	14	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	H(C[5]C[5,5]C[5]C)	108.0655	0.084	2	108.0655	0.007	2	108.0655	0.007	2	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CC[6a]HH)(H)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>,2|O<1>}	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,5]C[5]C)	107.8010	0.000	1	107.8010	0.000	1	107.8010	0.000	1	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H)	C(C[5]C[5,5]C[5]H)(NCH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]C[5]H)(NCH)(H)2	H(C[5]C[5,5]C[5]C)	107.9180	0.000	1	107.9180	0.000	1	108.3010	0.293	2	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H)	C(C[5]C[5,5]C[5]H)(NOO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]C[5]H)(NOO)(H)2	H(C[5]C[5,5]C[5]C)	108.6840	0.000	1	108.6840	0.000	1	108.3010	0.293	2	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(CCHH)(H)	C(C[5]C[5,6,6]C[5]H)(CCH)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[5,6,6]C[5]H)(CCH)(H)2	H(C[5]C[5,6,6]C[5]C)	107.6000	0.000	1	107.6000	0.000	1	107.0670	0.388	3	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(CCHH)(H)	C(C[5]C[5,6,6]C[5]H)(CCH)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[5,6,6]C[5]H)(CCH)(H)2	H(C[5]C[5,6,6]C[5]C)	106.8005	0.592	2	106.8005	0.350	2	107.0670	0.388	3	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6,6]C[5]C)	108.3620	0.000	1	108.3620	0.000	1	108.3620	0.000	1	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:B[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H)	C(C[5]C[5,6]C[5]H)(B[5]O[5]2)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(B[5]O[5]2)(H)2	H(C[5]C[5,6]C[5]C)	107.9830	0.000	1	107.9830	0.000	1	107.9830	0.000	1	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CC[5a]O)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CC[5a]O)(H)2	H(C[5]C[5,6]C[5]C)	105.8710	1.196	2	105.8710	1.431	2	105.8710	1.431	2	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	108.1630	0.092	2	108.1630	0.008	2	108.1430	2.455	11	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	108.6780	0.000	1	109.2000	0.545	2	108.1430	2.455	11	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	109.7220	0.000	1	109.2000	0.545	2	108.1430	2.455	11	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	107.8800	0.231	2	107.8800	0.053	2	108.1430	2.455	11	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	107.9520	0.000	1	107.9520	0.000	1	108.1430	2.455	11	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<4>,6|H<1>}	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	106.7350	0.000	1	106.7350	0.000	1	108.1430	2.455	11	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	104.5330	0.000	1	104.5330	0.000	1	108.1430	2.455	11	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5,6]C[5]C)	109.9335	0.333	2	109.9335	0.111	2	108.1430	2.455	11	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H)	C(C[5]C[5,6]C[5]H)(NCC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[5]C[5,6]C[5]H)(NCC)(H)2	H(C[5]C[5,6]C[5]C)	109.1390	0.000	1	108.4307	0.378	3	108.4307	0.378	3	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H)	C(C[5]C[5,6]C[5]H)(NCC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(NCC)(H)2	H(C[5]C[5,6]C[5]C)	108.0765	0.057	2	108.4307	0.378	3	108.4307	0.378	3	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(CBrCH)(H)	C(C[5]C[5]2H)(CCO)(Br)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(CBrCH)(H){4|H<1>}	C(C[5]C[5]2H)(CCO)(Br)(H)	H(C[5]C[5]2C)	107.7570	0.000	1	107.7570	0.000	1	107.0635	0.962	2	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CBrCH)(H)	C(C[5]C[5]2H)(CCO)(Br)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CBrCH)(H){4|H<1>}	C(C[5]C[5]2H)(CCO)(Br)(H)	H(C[5]C[5]2C)	106.3700	0.000	1	106.3700	0.000	1	107.0635	0.962	2	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	107.6150	0.000	1	107.6150	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a]H)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a]H)(CCHH)(H){1|N<3>,7|C<3>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	106.5830	0.000	1	106.5830	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	106.6280	0.000	1	106.6280	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CCHH)(H){1|H<1>,3|C<4>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	108.0490	0.856	2	108.0490	0.732	2	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	105.0533	1.400	3	105.0533	1.961	3	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	106.8965	0.344	2	107.2917	0.528	3	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|C<3>,3|H<1>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	108.0820	0.000	1	107.2917	0.528	3	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH)(H){1|C<3>,1|H<1>,1|S<4>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	107.0450	0.000	1	107.0450	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	110.3260	0.000	1	110.3260	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]S[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]S[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	107.9960	0.000	1	107.9960	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)2(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)2(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	106.1140	0.000	1	106.1140	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CS)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CS)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	108.0430	0.407	2	108.0430	0.166	2	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	108.2060	0.000	1	107.5520	0.436	6	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	107.4212	0.646	5	107.5520	0.436	6	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	109.2670	0.004	2	109.2670	0.000	2	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CNO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(CNO)(H)2	H(C[5]C[5]2C)	110.3770	1.756	2	110.3770	3.085	2	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	109.8070	0.000	1	109.8070	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H){1|O<2>,3|H<1>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	107.7680	0.000	1	107.7680	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	115.6470	0.000	1	110.6637	19.001	3	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	107.5590	0.000	1	110.6637	19.001	3	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	108.7850	0.000	1	110.6637	19.001	3	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	109.5870	0.000	1	109.5870	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	108.0120	0.000	1	108.0120	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CHN)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CHN)(H)2	H(C[5]C[5]2C)	110.0590	0.000	1	110.0590	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|C<3>,1|H<1>,1|S<4>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	108.9135	0.220	2	108.9135	0.048	2	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	107.9990	0.000	2	107.9990	0.000	2	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CCO)(H)2	H(C[5]C[5]2C)	109.0570	0.000	1	109.0570	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	109.3350	0.000	1	109.3350	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	107.9500	0.000	1	107.9500	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCHH)(H)	C(C[5]C[5]2H)(CC[5,6]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CC[5,6]O)(H)2	H(C[5]C[5]2C)	107.5390	0.000	1	107.5390	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	106.8510	0.000	1	106.8510	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(CCHH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	110.3360	0.000	1	110.3360	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCHH)(H){3|C<3>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	115.3910	0.000	1	115.3910	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(CC[6]H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CC[6]H)(H)2	H(C[5]C[5]2C)	108.0125	0.218	2	108.0125	0.048	2	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHH)(H){1|H<1>,3|C<3>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	107.3010	0.000	1	107.3010	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	108.6445	2.551	2	108.6445	6.505	2	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	107.7850	0.000	1	107.7850	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(CNO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H){1|Co<6>,1|C<3>,1|N<3>,2|C<4>}	C(C[5]C[5]2H)(CNO)(H)2	H(C[5]C[5]2C)	108.0114	0.392	5	108.0114	0.154	5	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H){1|Co<5>,1|C<3>,1|N<3>,2|C<4>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	107.8580	0.000	1	107.8400	0.001	2	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H){1|Co<6>,1|C<3>,1|N<3>,2|C<4>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	107.8220	0.000	1	107.8400	0.001	2	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCH)(H)2	H(C[5]C[5]2C)	108.7150	0.000	1	108.7150	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	108.9900	0.000	1	108.9900	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,2|C<3>}	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(C[5]C[5]2C)	107.8350	0.000	1	107.8350	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]N[5]HH)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(COO)(H)2	H(C[5]C[5]2C)	109.4550	0.000	1	109.4550	0.000	1	108.2979	3.396	63	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H)	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	H(C[5]C[5]2C)	108.3060	0.000	1	108.3060	0.000	1	108.3060	0.000	1	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6]HH)(H)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6]HH)(H){4|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	H(C[5]C[5]2C)	108.2380	0.000	1	108.2380	0.000	1	108.8940	0.861	2	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CC[6]HH)(H)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC[6]HH)(H){4|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	H(C[5]C[5]2C)	109.5500	0.000	1	109.5500	0.000	1	108.8940	0.861	2	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CN)(CHHN)(H)	C(C[5]C[5]2H)(NOO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CN)(CHHN)(H){1|H<1>,3|C<3>}	C(C[5]C[5]2H)(NOO)(H)2	H(C[5]C[5]2C)	107.2103	0.335	4	107.2103	0.112	4	108.2963	1.887	16	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CHHN)(H)	C(C[5]C[5]2H)(NOO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CHHN)(H){1|H<1>,3|C<3>}	C(C[5]C[5]2H)(NOO)(H)2	H(C[5]C[5]2C)	108.5437	1.305	3	108.5437	1.704	3	108.2963	1.887	16	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]CH)(CHHN)(H)	C(C[5]C[5]2H)(NCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HO)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5]2H)(NCH)(H)2	H(C[5]C[5]2C)	105.2260	0.000	1	105.2260	0.000	1	108.2963	1.887	16	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(H)	C(C[5]C[5]2H)(NCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C(C[5]C[5]2H)(NCH)(H)2	H(C[5]C[5]2C)	108.4670	1.383	2	108.4670	1.913	2	108.2963	1.887	16	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CHHN)(H)	C(C[5]C[5]2H)(NOO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CHHN)(H){1|O<1>}	C(C[5]C[5]2H)(NOO)(H)2	H(C[5]C[5]2C)	108.4160	0.000	1	108.4160	0.000	1	108.2963	1.887	16	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHN)(H)	C(C[5]C[5]2H)(NOO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHN)(H){1|O<1>}	C(C[5]C[5]2H)(NOO)(H)2	H(C[5]C[5]2C)	109.8110	0.000	1	109.8110	0.000	1	108.2963	1.887	16	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CHHN)(H)	C(C[5]C[5]2H)(NCS)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CHHN)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]2H)(NCS)(H)2	H(C[5]C[5]2C)	109.5280	0.061	2	109.5280	0.004	2	108.2963	1.887	16	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHN)(H)	C(C[5]C[5]2H)(NCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,4|H<1>}	C(C[5]C[5]2H)(NCH)(H)2	H(C[5]C[5]2C)	109.8730	0.000	1	109.8730	0.000	1	108.2963	1.887	16	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHN)(H)	C(C[5]C[5]2H)(NCS)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(NCS)(H)2	H(C[5]C[5]2C)	108.9520	0.000	1	108.9520	0.000	1	108.2963	1.887	16	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)(H)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)(H){2|H<1>}	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	H(C[5]C[5]2C)	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(CCO)(H)2	H(C[5]C[5]N[5]C)	108.6926	0.556	5	108.7500	0.267	6	108.7500	0.267	6	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CCO)(H)2	H(C[5]C[5]N[5]C)	109.0370	0.000	1	108.7500	0.267	6	108.7500	0.267	6	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHN)(H)	C(C[5]C[5]N[5]H)(NCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHN)(H){1|N<3>,3|H<1>}	C(C[5]C[5]N[5]H)(NCH)(H)2	H(C[5]C[5]N[5]C)	103.4460	0.000	1	103.4460	0.000	1	103.4460	0.000	1	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[5]HH)(H)	C(C[5]C[5]N[5]H)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[5]HH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]C)	109.1390	0.000	1	109.1390	0.000	1	109.1390	0.000	1	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H)	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	H(C[5]C[5]N[5]C)	109.2403	0.275	3	109.2403	0.075	3	109.2403	0.075	3	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H)	C(C[5]C[5]N[5]H)(N[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(N[6a]C[6a]2)(H)2	H(C[5]C[5]N[5]C)	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:S[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(CC[6a]HH)(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]S[5]C)	108.9670	0.000	1	108.9670	0.000	1	108.9670	0.000	1	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	Ge[5]-4:Ge[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](Ge[5]C[5x3,6x5,20x6]CC)2(CC[6a]HH)(H)	C(C[5]Ge[5]2H)(C[6a]C[6a]2)(H)2	H(C[5]Ge[5]2C)	C[5](Ge[5]C[5x3,6x5,20x6]CC)2(CC[6a]HH)(H){6|B<6>}	C(C[5]Ge[5]2H)(C[6a]C[6a]2)(H)2	H(C[5]Ge[5]2C)	105.9030	0.000	1	105.9030	0.000	1	105.9030	0.000	1	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(CHHN)(H)	C(C[5]C[5]N[5]H)(NAlC)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C(C[5]C[5]N[5]H)(NAlC)(H)2	H(C[5]C[5]N[5]C)	109.3790	0.000	1	109.3790	0.000	1	109.7586	0.086	5	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(CHHN)(H)	C(C[5]C[5]N[5]H)(NCuC)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C(C[5]C[5]N[5]H)(NCuC)(H)2	H(C[5]C[5]N[5]C)	109.8535	0.234	4	109.8535	0.055	4	109.7586	0.086	5	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:S-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHS)(H)	C(C[5]C[5]N[5]H)(SRu2)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHS)(H){4|H<1>}	C(C[5]C[5]N[5]H)(SRu2)(H)2	H(C[5]C[5]N[5]C)	108.4725	0.354	2	108.4725	0.126	2	108.4725	0.126	2	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,4|H<1>}	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(H)2	H(C[5]C[5]P[5]C)	107.0665	0.234	2	107.0665	0.055	2	107.0665	0.055	2	108.2237	2.511	157	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHO)(H)	C(C[5]C[5,5,6]C[5]H)(CCH)(OC)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHO)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,5,6]C[5]H)(CCH)(OC)(H)	H(C[5]C[5,5,6]C[5]C)	108.3090	0.367	3	108.3090	0.134	3	108.3090	0.134	3	106.9495	3.083	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(OC)(H)	H(C[5]C[5,5]C[5]C)	107.1560	0.000	1	107.1560	0.000	1	107.1560	0.000	1	106.9495	3.083	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5,5]-4:N[5,5]-4:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H)	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	H(C[5]C[5,5]N[5,5]C)	108.1110	0.000	1	108.1110	0.000	1	107.5045	0.736	2	106.9495	3.083	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5,5]-4:N[5,5]-4:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H)	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	H(C[5]C[5,5]N[5,5]C)	106.8980	0.000	1	106.8980	0.000	1	107.5045	0.736	2	106.9495	3.083	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6]C)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6]C)(CCHO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	H(C[5]C[5,6]C[5]C)	106.5465	0.095	2	106.5465	0.009	2	107.0067	0.640	3	106.9495	3.083	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	H(C[5]C[5,6]C[5]C)	107.9270	0.000	1	107.9270	0.000	1	107.0067	0.640	3	106.9495	3.083	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HH)(CCHO)(H)	C(C[5]C[5]2H)(CCH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HH)(CCHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5]2H)(CCH)(OC)(H)	H(C[5]C[5]2C)	104.9140	0.000	1	104.9140	0.000	1	106.5255	3.637	23	106.9495	3.083	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCHO)(H)	C(C[5]C[5]2H)(COO)(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCHO)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(COO)(OSi)(H)	H(C[5]C[5]2C)	110.5800	0.000	1	110.5800	0.000	1	106.5255	3.637	23	106.9495	3.083	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H)	C(C[5]C[5]2H)(CCH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H){4|H<1>}	C(C[5]C[5]2H)(CCH)(OC)(H)	H(C[5]C[5]2C)	109.0740	0.045	2	109.0740	0.002	2	106.5255	3.637	23	106.9495	3.083	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H)	C(C[5]C[5]2H)(CCH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]2H)(CCH)(OH)(H)	H(C[5]C[5]2C)	107.3760	0.000	1	107.3760	0.000	1	106.5255	3.637	23	106.9495	3.083	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	C(C[5]C[5]2H)(CCC)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(CCC)(OC)(H)	H(C[5]C[5]2C)	104.8328	0.633	4	105.7883	2.762	13	106.5255	3.637	23	106.9495	3.083	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	C(C[5]C[5]2H)(CCC)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCC)(OC)(H)	H(C[5]C[5]2C)	106.2130	1.826	9	105.7883	2.762	13	106.5255	3.637	23	106.9495	3.083	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	C(C[5]C[5]2H)(CCC)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCC)(OH)(H)	H(C[5]C[5]2C)	106.1943	0.309	4	106.1943	0.095	4	106.5255	3.637	23	106.9495	3.083	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCHO)(H)	C(C[5]C[5]2H)(CCH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CCH)(OC)(H)	H(C[5]C[5]2C)	109.0430	0.000	1	109.0430	0.000	1	106.5255	3.637	23	106.9495	3.083	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:2:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:N-2:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NS)(H)	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H){2|C<3>,4|H<1>}	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NS)(H)	H(C[5]C[5]P[5]C)	109.0425	0.558	2	109.0425	0.311	2	109.0425	0.311	2	106.9495	3.083	34	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCCH)(H)	C(C[5]C[3,5]C[5]H)(COO)2(H)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCCH)(H){3|H<1>}	C(C[5]C[3,5]C[5]H)(COO)2(H)	H(C[5]C[3,5]C[5]C)	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	108.2443	1.751	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,5,6]C[5]H)(COS)2(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[5]C[5,5,6]C[5]H)(COS)2(H)	H(C[5]C[5,5,6]C[5]C)	108.0000	0.000	1	108.0000	0.000	1	108.0000	0.000	1	108.2443	1.751	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(COO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCH)(COO)(H)	H(C[5]C[5,6]C[5]C)	106.9940	0.000	1	106.9940	0.000	1	106.9940	0.000	1	108.2443	1.751	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H)	C(C[5]C[5]2H)(COO)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H){4|C<3>}	C(C[5]C[5]2H)(COO)2(H)	H(C[5]C[5]2C)	107.2535	1.339	2	107.2535	1.792	2	107.6315	1.625	6	108.2443	1.751	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CN[5]O)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	C(C[5]C[5]2H)(CN[5]O)(COO)(H)	H(C[5]C[5]2C)	105.8270	0.000	1	105.8270	0.000	1	107.6315	1.625	6	108.2443	1.751	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(COS)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(COS)2(H)	H(C[5]C[5]2C)	108.4850	0.550	3	108.4850	0.302	3	107.6315	1.625	6	108.2443	1.751	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H)	C(C[5]C[5]2H)(COO)(NOO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H){2|C<3>}	C(C[5]C[5]2H)(COO)(NOO)(H)	H(C[5]C[5]2C)	108.4410	0.144	2	108.4410	0.021	2	108.4410	0.021	2	108.2443	1.751	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2F)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(F)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2F)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(F)	H(C[5]C[5]N[5]C)	111.0200	0.000	1	111.0200	0.000	1	111.0200	0.000	1	108.2443	1.751	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:S[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[6a]2F)(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[6a]2F)(H){4|H<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	H(C[5]C[5]S[5]C)	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	108.2443	1.751	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NHS)(H)	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H){2|C<3>,4|H<1>}	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NHS)(H)	H(C[5]C[5]P[5]C)	108.6710	0.635	2	108.6710	0.403	2	108.6710	0.403	2	108.2443	1.751	15	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:2:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	109.1360	0.186	3	109.1360	0.035	3	109.0274	0.097	5	109.5414	0.512	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:2:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]C)	108.5240	0.000	1	108.5240	0.000	1	109.0274	0.097	5	109.5414	0.512	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:2:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	H(C[5]C[5]N[5]C)	109.2050	0.000	1	109.2050	0.000	1	109.0274	0.097	5	109.5414	0.512	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:2:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](N[5]C[5]AlH)(C[5]C[5]HH)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OAl)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]AlH)(C[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OAl)	H(C[5]C[5]N[5]C)	110.7330	0.233	2	110.7330	0.054	2	109.9086	0.495	7	109.5414	0.512	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:2:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](N[5]C[5]CoC)(C[5]C[5]HH)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OCo)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]CoC)(C[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OCo)	H(C[5]C[5]N[5]C)	109.4010	0.357	4	109.4010	0.128	4	109.9086	0.495	7	109.5414	0.512	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:2:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OFe)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OFe)	H(C[5]C[5]N[5]C)	110.2900	0.000	1	110.2900	0.000	1	109.9086	0.495	7	109.5414	0.512	12	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:3:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-3:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OFeH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OFeH)	H(C[5]C[5]N[5]C)	109.2305	0.111	4	109.2305	0.012	4	109.1103	0.769	8	109.1103	0.769	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:3:3:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-3:	C[5]-4:	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(CC[6a]2O)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OZn2)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OZn2)	H(C[5]C[5]N[5]C)	108.9900	1.321	4	108.9900	1.744	4	109.1103	0.769	8	109.1103	0.769	8	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CC[6]O)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CC[6]O)(CH3)(H)	H(C[5]C[5,6]C[5]C)	106.4060	0.000	1	106.4060	0.000	1	106.4060	0.000	1	106.5277	0.315	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5a]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[5a]CH)(H)	C(C[5]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[5a]CH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(CH3)(H)	H(C[5]C[5,6]C[5]C)	106.1160	0.000	1	106.1160	0.000	1	106.1160	0.000	1	106.5277	0.315	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6])(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6])(CH3)(H)	H(C[5]C[5,6]C[5]C)	105.9700	0.000	1	105.9700	0.000	1	106.0085	0.003	2	106.5277	0.315	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	H(C[5]C[5,6]C[5]C)	106.0470	0.000	1	106.0470	0.000	1	106.0085	0.003	2	106.5277	0.315	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]CH)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]CH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[5]C[5,6]C[5]C)	106.6700	0.000	1	106.6700	0.000	1	107.0517	0.169	3	106.5277	0.315	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]CH)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[5]C[5,6]C[5]C)	107.2425	0.344	2	107.2425	0.119	2	107.0517	0.169	3	106.5277	0.315	7	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5]2H)(CC[5]O)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCO)(H){1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CC[5]O)(CH3)(OH)	H(C[5]C[5]2C)	107.9020	0.393	2	107.9020	0.155	2	107.9020	0.155	2	107.9020	0.155	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	B[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CCHH)(H)	C(C[5]B[5,5]C[5]H)(CCHH)(H)2	H(C[5]B[5,5]C[5]C)	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]B[5,5]C[5]H)(CCHH)(H)2	H(C[5]B[5,5]C[5]C)	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[6]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CN[6]HH)(H)	C(C[5]B[5]C[5]H)(N[6]C[6]2H)(H)2	H(C[5]B[5]C[5]C)	C[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CN[6]HH)(H){2|C<4>,4|C<3>}	C(C[5]B[5]C[5]H)(N[6]C[6]2H)(H)2	H(C[5]B[5]C[5]C)	105.2230	0.000	1	105.2230	0.000	1	105.2230	0.000	1	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	B[5]-4:P[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H)	C(C[5]B[5]P[5]H)(CH3)(H)2	H(C[5]B[5]P[5]C)	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H){1|H<1>,9|C<3>}	C(C[5]B[5]P[5]H)(CH3)(H)2	H(C[5]B[5]P[5]C)	105.8395	6.260	2	105.8395	39.188	2	105.8395	39.188	2	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C[5]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](CC[5,6,6]HH)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](CC[5,6,6]HH)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<4>,1|O<2>}	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.5940	0.000	1	108.5940	0.000	1	108.5940	0.000	1	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5,5]O[5]H)(CCHH)(H)	C(C[5]C[3,5]C[5,5]H)(CC[5]HH)(H)2	H(C[5]C[3,5]C[5,5]C)	C[5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5,5]O[5]H)(CCHH)(H){3|C<4>,4|H<1>}	C(C[5]C[3,5]C[5,5]H)(CC[5]HH)(H)2	H(C[5]C[3,5]C[5,5]C)	110.0860	0.000	1	110.0860	0.000	1	110.0860	0.000	1	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]N)(C[5]C[5]CC)(CCHH)(H)	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]N)(C[5]C[5]CC)(CCHH)(H){5|H<1>}	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	H(C[5]C[3,5]C[5]C)	109.7360	0.000	1	109.7360	0.000	1	109.6960	3.898	3	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	H(C[5]C[3,5]C[5]C)	111.6500	0.000	1	111.6500	0.000	1	109.6960	3.898	3	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[3]O[5]H)(CCHH)(H)	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3]2C[5])(C[5]C[3]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	H(C[5]C[3,5]C[5]C)	107.7020	0.000	1	107.7020	0.000	1	109.6960	3.898	3	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CCHH)(H)	C(C[5]C[4,5]C[5]H)(CH3)(H)2	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CCHH)(H){1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[4,5]C[5]H)(CH3)(H)2	H(C[5]C[4,5]C[5]C)	108.1720	0.000	1	108.1720	0.000	1	108.8783	1.906	3	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[4,5]C[5]H)(CH3)(H)2	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[4,5]C[5]H)(CH3)(H)2	H(C[5]C[4,5]C[5]C)	110.4690	0.000	1	110.4690	0.000	1	108.8783	1.906	3	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[4,5]C[5]H)(CHHN)(H)2	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[4,5]C[5]H)(CHHN)(H)2	H(C[5]C[4,5]C[5]C)	107.9940	0.000	1	107.9940	0.000	1	108.8783	1.906	3	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5,6]C[5]H)(CH3)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,5,6]C[5]H)(CH3)(H)2	H(C[5]C[5,5,6]C[5]C)	107.2460	0.000	1	107.2460	0.000	1	107.2460	0.000	1	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[3]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CC[3]HH)(H)	C(C[5]C[5,5,6]C[5]H)(C[3]C[3]O[3]H)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CC[3]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5,5,6]C[5]H)(C[3]C[3]O[3]H)(H)2	H(C[5]C[5,5,6]C[5]C)	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(CCHH)(H)	C(C[5]C[5,5]2H)(CH3)(H)2	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	C(C[5]C[5,5]2H)(CH3)(H)2	H(C[5]C[5,5]2C)	108.2830	0.000	1	108.2830	0.000	1	108.2830	0.000	1	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]O)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5]C[5]O)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	H(C[5]C[5,5]C[5]C)	107.8230	0.000	1	107.8230	0.000	1	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	108.3260	0.000	1	108.3260	0.000	1	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	109.9150	0.000	1	109.9150	0.000	1	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCHH)(H){1|C<3>,1|O<2>,5|H<1>}	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	109.5900	0.000	1	109.5900	0.000	1	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	108.2975	0.018	2	108.2975	0.000	2	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	106.5400	0.000	1	106.5400	0.000	1	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	H(C[5]C[5,5]C[5]C)	107.2690	0.000	1	107.2690	0.000	1	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	106.6655	0.464	8	106.6655	0.216	8	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC[5]HO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5,5]C[5]H)(CC[5]HO)(H)2	H(C[5]C[5,5]C[5]C)	106.0450	0.000	1	106.0450	0.000	1	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	H(C[5]C[5,5]C[5]C)	106.5100	0.000	1	106.5100	0.000	1	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H){2|C<4>,3|H<1>}	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	105.8490	0.362	6	105.8490	0.131	6	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]HH)(CCHH)(H){3|H<1>,4|C<4>}	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	H(C[5]C[5,5]C[5]C)	107.1910	0.000	1	107.1910	0.000	1	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC3)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[5,5]C[5]H)(CC3)(H)2	H(C[5]C[5,5]C[5]C)	107.4750	0.134	2	107.4750	0.018	2	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[3]O[5]H)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC[3]HO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[3]O[5]H)(CCHH)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,5]C[5]H)(CC[3]HO)(H)2	H(C[5]C[5,5]C[5]C)	106.9970	0.000	1	106.9970	0.000	1	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	106.0660	0.000	1	106.0660	0.000	1	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[3]O[5]H)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[3]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	H(C[5]C[5,5]C[5]C)	107.7980	0.000	1	107.7980	0.000	1	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,6|H<1>}	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	106.3520	0.000	1	106.5885	0.112	2	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H){2|C<4>,6|H<1>}	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(C[5]C[5,5]C[5]C)	106.8250	0.000	1	106.5885	0.112	2	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCCH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]C[5]H)(CCCH)(H)2	H(C[5]C[5,5]C[5]C)	108.5970	0.000	1	108.5970	0.000	1	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CH3)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,5]C[5]H)(CH3)(H)2	H(C[5]C[5,5]C[5]C)	109.5980	0.000	1	109.5980	0.000	1	107.1001	1.360	34	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CH)(CC[5]HH)(H)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CH)(CC[5]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	H(C[5]C[5,5]C[5]C)	105.9880	0.000	1	105.9880	0.000	1	106.7065	1.032	2	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	H(C[5]C[5,5]C[5]C)	107.4250	0.000	1	107.4250	0.000	1	106.7065	1.032	2	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CHHS)(H)	C(C[5]C[5,5]C[5]H)(SC[5a]OO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CHHS)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5,5]C[5]H)(SC[5a]OO)(H)2	H(C[5]C[5,5]C[5]C)	108.2930	0.000	1	108.2930	0.000	1	108.3517	0.655	3	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HN)(CHHS)(H)	C(C[5]C[5,5]C[5]H)(SC[6a]OO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HN)(CHHS)(H){1|H<1>,2|C<4>}	C(C[5]C[5,5]C[5]H)(SC[6a]OO)(H)2	H(C[5]C[5,5]C[5]C)	109.1890	0.000	1	109.1890	0.000	1	108.3517	0.655	3	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(CHHS)(H)	C(C[5]C[5,5]C[5]H)(SC[6a]OO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(CHHS)(H){1|C<4>,1|O<1>,4|C<3>}	C(C[5]C[5,5]C[5]H)(SC[6a]OO)(H)2	H(C[5]C[5,5]C[5]C)	107.5730	0.000	1	107.5730	0.000	1	108.3517	0.655	3	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5]-4:C-4:H-1:	C[5]-4:B-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CBHH)(H)	C(C[5]C[5,5]N[5]H)(BC[6a]3)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CBHH)(H){2|H<1>,3|C<4>}	C(C[5]C[5,5]N[5]H)(BC[6a]3)(H)2	H(C[5]C[5,5]N[5]C)	108.5690	0.000	1	108.5690	0.000	1	108.3770	0.074	2	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5]-4:C-4:H-1:	C[5]-4:B-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CBHH)(H)	C(C[5]C[5,5]N[5]H)(BC[6a]3)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CBHH)(H){2|H<1>,3|C<4>}	C(C[5]C[5,5]N[5]H)(BC[6a]3)(H)2	H(C[5]C[5,5]N[5]C)	108.1850	0.000	1	108.1850	0.000	1	108.3770	0.074	2	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CCHH)(H)	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CCHH)(H){2|H<1>,3|C<4>}	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	H(C[5]C[5,5]N[5]C)	107.7850	0.000	1	107.7850	0.000	1	108.1205	0.225	2	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<4>}	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	H(C[5]C[5,5]N[5]C)	108.4560	0.000	1	108.4560	0.000	1	108.1205	0.225	2	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H)	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6,6]C[5]C)	105.8905	0.337	2	105.8905	0.114	2	108.0277	6.369	4	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CCHH)(H){1|H<1>,2|O<1>,2|O<2>,3|C<4>}	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6,6]C[5]C)	110.1650	0.850	2	110.1650	0.722	2	108.0277	6.369	4	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	106.2720	0.000	1	106.2720	0.000	1	106.3902	4.115	10	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	106.0380	0.000	1	104.2900	2.654	3	106.3902	4.115	10	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	103.4160	0.851	2	104.2900	2.654	3	106.3902	4.115	10	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	H(C[5]C[5,6]C[5]C)	104.7400	0.000	1	104.7400	0.000	1	106.3902	4.115	10	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	107.3670	0.000	1	107.3670	0.000	1	106.3902	4.115	10	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(C[5]C[5,6]C[5]C)	108.5090	0.000	1	108.5090	0.000	1	106.3902	4.115	10	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	H(C[5]C[5,6]C[5]C)	107.1060	0.000	1	107.1060	0.000	1	106.3902	4.115	10	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	H(C[5]C[5,6]C[5]C)	107.9130	0.000	1	107.9130	0.000	1	106.3902	4.115	10	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	H(C[5]C[5,6]C[5]C)	109.1250	0.000	1	109.1250	0.000	1	106.3902	4.115	10	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:I-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHI)(H)	C(C[5]C[5,6]C[5]H)(CH3)(H)(I)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHI)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(H)(I)	H(C[5]C[5,6]C[5]C)	108.0335	0.158	2	108.0335	0.025	2	108.0335	0.025	2	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	H(C[5]C[5,6]C[5]C)	104.9240	0.000	1	105.1790	0.526	3	105.9748	2.883	4	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H){2|C<4>,2|O<1>,4|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	H(C[5]C[5,6]C[5]C)	104.6160	0.000	1	105.1790	0.526	3	105.9748	2.883	4	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H){2|O<1>,3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	H(C[5]C[5,6]C[5]C)	105.9970	0.000	1	105.1790	0.526	3	105.9748	2.883	4	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CC[6]HH)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CC[6]HH)(H){1|C<3>,1|S<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	H(C[5]C[5,6]C[5]C)	108.3620	0.000	1	108.3620	0.000	1	105.9748	2.883	4	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H)	C(C[5]C[5,6]C[5]H)(NCHH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H){1|C<4>,3|C<3>}	C(C[5]C[5,6]C[5]H)(NCHH)(H)2	H(C[5]C[5,6]C[5]C)	107.4615	0.626	2	107.4615	0.392	2	107.4615	0.392	2	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H)	C(C[5]C[5,6]C[5]H)(SiC[6a]CC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5,6]C[5]H)(SiC[6a]CC)(H)2	H(C[5]C[5,6]C[5]C)	107.9030	0.000	1	107.9030	0.000	1	107.9030	0.000	1	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCHH)(H)	C(CB[6a]B[5]H)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C(CB[6a]B[5]H)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.5507	0.096	3	108.5507	0.009	3	108.5507	0.009	3	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]HH)(H){2|H<1>}	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.1847	0.413	3	108.1847	0.171	3	108.1847	0.171	3	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CBrCH)(H)	C(C[5]C[5]2H)(CCHH)(Br)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CBrCH)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(Br)(H)	H(C[5]C[5]2C)	107.8780	0.000	1	107.8780	0.000	1	107.8780	0.000	1	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(CClCH)(H)	C(C[5]C[5]2H)(CHHO)(Cl)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(CClCH)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(CHHO)(Cl)(H)	H(C[5]C[5]2C)	107.5340	0.000	1	107.5340	0.000	1	108.0483	2.154	6	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CClCH)(H)	C(C[5]C[5]2H)(CCHH)(Cl)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CClCH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(Cl)(H)	H(C[5]C[5]2C)	110.1770	0.000	1	110.1770	0.000	1	108.0483	2.154	6	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H)	C(C[5]C[5]2H)(CCHH)(Cl)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H){1|S<4>,2|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCHH)(Cl)(H)	H(C[5]C[5]2C)	107.0150	0.000	1	107.0150	0.000	1	108.0483	2.154	6	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H)	C(C[5]C[5]2H)(CH3)(Cl)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H){1|S<4>,2|C<4>,3|H<1>}	C(C[5]C[5]2H)(CH3)(Cl)(H)	H(C[5]C[5]2C)	107.8547	1.548	3	107.8547	2.396	3	108.0483	2.154	6	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCFF)(H)	C(C[5]C[5]2H)(CF3)(F)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCFF)(H){4|H<1>}	C(C[5]C[5]2H)(CF3)(F)2	H(C[5]C[5]2C)	108.4150	0.000	1	108.4150	0.000	1	108.4150	0.000	1	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]O[5]H)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3,5]O[5]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	109.1867	0.797	3	109.1867	0.635	3	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]O)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]O)(C[5]C[5]CH)(CCHH)(H){3|C<4>,4|H<1>}	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	107.2257	0.091	3	107.2257	0.008	3	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]O)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]O)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(C[5]C[5]2C)	106.7050	0.000	1	106.7050	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.2835	0.229	6	108.2835	0.052	6	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CCHO)(H)2	H(C[5]C[5]2C)	107.8488	0.475	10	107.8488	0.226	10	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(C[5]C[5]2C)	110.6040	0.000	1	110.6040	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CC[3]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CC[3]HO)(H)2	H(C[5]C[5]2C)	107.5990	0.310	7	107.5990	0.096	7	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,4,5,6,6]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[4,4,5,6,6]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,3|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.8240	0.000	1	108.8240	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5,6]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	110.0140	0.000	1	110.0140	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCHH)(H){1|H<1>,3|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.7500	0.000	1	108.7500	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	108.5740	0.000	1	108.5740	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(CCHH)(H){1|C<4>,1|N<2>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.4120	0.000	1	107.4120	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|S<2>,3|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.1650	0.000	1	107.1650	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCFF)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(CCFF)(H)2	H(C[5]C[5]2C)	107.4170	0.000	1	107.4170	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H){2|H<1>,2|S<2>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.5660	0.076	2	107.5660	0.006	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<2>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	106.4460	0.000	1	106.4460	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]HH)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	107.1120	0.000	1	107.1120	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	109.1100	0.000	1	109.1100	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(CCHH)(H)	C(C[5]C[5]2H)(CHHO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(CCHH)(H){1|H<1>,2|C<4>,4|C<3>}	C(C[5]C[5]2H)(CHHO)(H)2	H(C[5]C[5]2C)	106.7480	0.000	1	106.7480	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(CCHH)(H)	C(C[5]C[5]2H)(CCCN)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)2(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(CCCN)(H)2	H(C[5]C[5]2C)	108.1785	0.412	2	108.1785	0.170	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CC[6]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]2H)(CC[6]CH)(H)2	H(C[5]C[5]2C)	108.3820	0.000	1	108.3820	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.9110	0.000	1	108.9110	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(C[5]C[5]2C)	108.1140	0.000	1	108.1140	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.4140	0.000	1	106.9550	0.421	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	106.4960	0.000	1	106.9550	0.421	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CC[6]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(CC[6]CH)(H)2	H(C[5]C[5]2C)	106.0390	0.000	1	106.0390	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	108.6580	1.363	3	108.6580	1.859	3	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	C(C[5]C[5]2H)(CCCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CCCH)(H)2	H(C[5]C[5]2C)	106.4682	0.708	4	106.4682	0.501	4	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	107.8490	0.000	1	107.8490	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	104.6140	0.000	1	107.0580	11.946	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<2>,3|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	109.5020	0.000	1	107.0580	11.946	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<4>,3|H<1>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	105.6790	0.000	1	105.6790	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	106.5390	0.000	1	106.5390	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CCCH)(H)2	H(C[5]C[5]2C)	108.3725	0.254	2	108.3725	0.064	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	109.1900	0.000	1	109.1900	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.0290	0.037	2	107.0290	0.001	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(C[5]C[5]2C)	106.7575	0.442	2	106.7575	0.195	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(C[5]C[5]2C)	107.1490	0.000	1	107.1490	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.9387	0.980	3	108.9387	0.961	3	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CCHO)(H)2	H(C[5]C[5]2C)	110.5920	0.950	2	110.5920	0.903	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	108.2310	0.000	1	108.2310	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	105.4810	0.000	1	105.4810	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCHH)(H)	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	107.3210	0.000	1	107.3210	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.8790	0.000	1	107.8790	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	107.4998	0.348	4	107.4998	0.121	4	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	106.3020	0.000	1	107.3340	0.882	3	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.5620	0.000	1	107.3340	0.882	3	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.1380	0.000	1	107.3340	0.882	3	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	106.8100	0.000	1	106.8100	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(C[5]C[5]2C)	106.5780	0.000	1	106.5780	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.4320	0.000	2	107.4320	0.000	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHH)(H){1|C<4>,1|O<2>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.1645	0.006	2	108.1645	0.000	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	110.0845	3.719	2	110.0845	13.829	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(C[5]C[5]2C)	108.9840	0.000	1	108.9840	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(CHHI)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CHHI)(H)2	H(C[5]C[5]2C)	107.1900	0.000	1	107.1900	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.7770	0.000	1	107.7770	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	106.9340	0.000	1	106.9340	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCHH)(H)	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCHH)(H){2|H<1>}	C(C[5]C[5]2H)(CC3)(H)2	H(C[5]C[5]2C)	110.2530	0.000	1	110.2530	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.1645	0.172	2	108.1645	0.030	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CH3)(H)2	H(C[5]C[5]2C)	107.8730	0.000	1	107.8730	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]BrC)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]BrC)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	109.1990	0.000	1	109.1990	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	105.5330	4.342	3	107.1342	7.506	8	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.5670	0.436	3	107.1342	7.506	8	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	107.8740	0.000	1	107.1342	7.506	8	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,3|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	106.9000	0.000	1	107.1342	7.506	8	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(C[5]C[5]2C)	108.1943	0.117	3	108.8438	0.313	8	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(C[5]C[5]2C)	109.2334	0.184	5	108.8438	0.313	8	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	109.5520	3.984	2	109.5520	15.871	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CN[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[5]C[5]2H)(CN[5]HH)(H)2	H(C[5]C[5]2C)	104.8490	0.242	2	104.8490	0.058	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(C[5]C[5]2C)	106.9330	1.519	2	106.9330	2.307	2	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	H(C[5]C[5]2C)	108.0170	0.000	1	108.0170	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CHHO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>}	C(C[5]C[5]2H)(CHHO)(H)2	H(C[5]C[5]2C)	108.1570	0.000	1	108.1570	0.000	1	107.8597	2.045	129	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]HH)(H)	C(C[5]C[5]2Fe)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]HH)(H){1|H<1>,3|C<4>}	C(C[5]C[5]2Fe)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	106.6414	1.061	5	106.6414	1.125	5	106.6856	1.161	10	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	106.0280	0.000	1	105.8553	0.022	3	106.6856	1.161	10	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H){4|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	105.7690	0.011	2	105.8553	0.022	3	106.6856	1.161	10	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HH)(H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HH)(H){1|O<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	108.3150	0.000	1	108.3150	0.000	1	106.6856	1.161	10	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[5]HH)(H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	H(C[5]C[5]2C)	107.7680	0.000	1	107.7680	0.000	1	106.6856	1.161	10	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)2(CC[6]HH)(H)	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)2(CC[6]HH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	H(C[5]C[5]2C)	108.7040	0.000	1	108.7040	0.000	1	108.2356	0.147	5	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HH)(H)	C(C[5]C[5]2H)(C[6]C[6]2C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HH)(H){4|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2C)(H)2	H(C[5]C[5]2C)	108.1977	0.347	3	108.1977	0.120	3	108.2356	0.147	5	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6]HH)(H)	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6]HH)(H){4|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	H(C[5]C[5]2C)	107.8810	0.000	1	107.8810	0.000	1	108.2356	0.147	5	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CHHN)(H)	C(C[5]C[5]2H)(NCHH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CHHN)(H){1|C<2>,1|N<3>,4|H<1>}	C(C[5]C[5]2H)(NCHH)(H)2	H(C[5]C[5]2C)	108.6850	0.000	1	108.6850	0.000	1	108.9590	0.150	2	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H)	C(C[5]C[5]2H)(NCCH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,4|H<1>}	C(C[5]C[5]2H)(NCCH)(H)2	H(C[5]C[5]2C)	109.2330	0.000	1	109.2330	0.000	1	108.9590	0.150	2	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CHHS)(H)	C(C[5]C[5]2H)(SC[6a]OO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CHHS)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(SC[6a]OO)(H)2	H(C[5]C[5]2C)	109.6760	0.000	1	109.6760	0.000	1	109.6760	0.000	1	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]CH)(CCHH)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(C[5]C[5]N[5]C)	109.0610	0.000	1	109.0610	0.000	1	108.9768	1.193	13	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]BC)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]BC)(CCHH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(C[5]C[5]N[5]C)	107.3710	0.000	1	107.3710	0.000	1	108.9768	1.193	13	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]N[5]H)(CHHN)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CHHN)(H)2	H(C[5]C[5]N[5]C)	108.8358	1.089	4	108.8358	1.186	4	108.9768	1.193	13	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(C[5]C[5]N[5]C)	108.8604	0.238	5	108.8604	0.057	5	108.9768	1.193	13	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(CH3)(H)2	H(C[5]C[5]N[5]C)	110.3105	2.058	2	110.3105	4.237	2	108.9768	1.193	13	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H)	C(C[5]C[5]N[5]H)(NH3)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(NH3)(H)2	H(C[5]C[5]N[5]C)	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CCHH)(H)	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(C[5]C[5]P[5]C)	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CCHH)(H){3|C<3>}	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(C[5]C[5]P[5]C)	106.8000	1.440	2	106.8000	2.073	2	107.9325	2.471	4	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]C[5]CC)(CCHH)(H)	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(C[5]C[5]P[5]C)	C[5](C[5]C[5]HH)(P[5]C[5]CC)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(C[5]C[5]P[5]C)	109.0650	0.457	2	109.0650	0.209	2	107.9325	2.471	4	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[3]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]S[5]H)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[3]HH)(H){1|C<4>,2|H<1>}	C(C[3]C[3]O[3]H)(C[5]C[5]S[5]H)(H)2	H(C[5]C[5]S[5]C)	109.5150	0.000	1	109.5150	0.000	1	109.5150	0.000	1	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]N[5]OO)(CCHH)(H)	C(C[5]C[5]S[5]H)(CHHS)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]HH)(S[5]N[5]OO)(CCHH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]S[5]H)(CHHS)(H)2	H(C[5]C[5]S[5]C)	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]B[5]H)(C[5]O[5]HH)(CCHH)(H)	C(C[5]N[5,5]C[5]H)(CCCH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]B[5]H)(C[5]O[5]HH)(CCHH)(H){1|H<1>,2|C<3>,2|O<2>}	C(C[5]N[5,5]C[5]H)(CCCH)(H)2	H(C[5]N[5,5]C[5]C)	109.4260	0.000	2	109.4260	0.000	2	109.4260	0.000	2	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(H)	C(C[5]N[5,6]C[5]H)(CCHH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]N[5,6]C[5]H)(CCHH)(H)2	H(C[5]N[5,6]C[5]C)	109.1330	0.297	2	109.1330	0.088	2	109.1330	0.088	2	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHHN)(H)	C(C[5]C[5]N[5]H)(NCoCH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C(C[5]C[5]N[5]H)(NCoCH)(H)2	H(C[5]C[5]N[5]C)	109.8830	0.000	1	109.8830	0.000	1	110.0860	0.208	13	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CHHN)(H)	C(C[5]C[5]N[5]H)(NFeCC)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C(C[5]C[5]N[5]H)(NFeCC)(H)2	H(C[5]C[5]N[5]C)	110.5680	0.000	1	110.5680	0.000	1	110.0860	0.208	13	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(CHHN)(H)	C(C[5]C[5]N[5]H)(NMgCC)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C(C[5]C[5]N[5]H)(NMgCC)(H)2	H(C[5]C[5]N[5]C)	110.1038	0.668	4	110.1038	0.447	4	110.0860	0.208	13	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MnC)(C[5]C[5]HH)(CHHN)(H)	C(C[5]C[5]N[5]H)(NMnCC)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]MnC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C(C[5]C[5]N[5]H)(NMnCC)(H)2	H(C[5]C[5]N[5]C)	110.4140	0.086	2	110.4140	0.007	2	110.0860	0.208	13	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHN)(H)	C(C[5]C[5]N[5]H)(NC[6a]PdH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C(C[5]C[5]N[5]H)(NC[6a]PdH)(H)2	H(C[5]C[5]N[5]C)	110.0020	0.000	1	110.0020	0.000	1	110.0860	0.208	13	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(CHHN)(H)	C(C[5]C[5]N[5]H)(NZnCC)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C(C[5]C[5]N[5]H)(NZnCC)(H)2	H(C[5]C[5]N[5]C)	109.8555	0.383	4	109.8555	0.147	4	110.0860	0.208	13	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CN[5]HH)(H)	C(C[5]C[5]N[5]H)(N[5]C[5]2Pd)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CN[5]HH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(N[5]C[5]2Pd)(H)2	H(C[5]C[5]N[5]C)	109.9050	0.000	1	109.9050	0.000	1	109.9050	0.000	1	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]N[5]H)(OLi3)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OLi3)(H)2	H(C[5]C[5]N[5]C)	109.1570	0.062	3	109.1570	0.004	3	109.1570	0.004	3	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:P-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MoH)(C[5]C[5]HH)(CHHP)(H)	C(C[5]C[5]N[5]H)(PC[6a]2Mo)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]MoH)(C[5]C[5]HH)(CHHP)(H){4|H<1>}	C(C[5]C[5]N[5]H)(PC[6a]2Mo)(H)2	H(C[5]C[5]N[5]C)	109.1490	1.322	2	109.1490	1.748	2	112.7793	18.191	4	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:P-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHP)(H)	C(C[5]C[5]N[5]H)(PC[6a]2Ru)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHP)(H){4|H<1>}	C(C[5]C[5]N[5]H)(PC[6a]2Ru)(H)2	H(C[5]C[5]N[5]C)	116.4095	0.330	2	116.4095	0.109	2	112.7793	18.191	4	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(C[5]C[5]P[5]C)	108.5990	0.000	1	108.5990	0.000	1	108.1639	2.424	19	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]P[5]H)(CRhCH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	C(C[5]C[5]P[5]H)(CRhCH)(H)2	H(C[5]C[5]P[5]C)	110.3170	0.339	2	110.3170	0.115	2	108.1639	2.424	19	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(C[5]C[5]P[5]C)	109.0637	1.675	4	109.0637	2.806	4	108.1639	2.424	19	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]SeC)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]SeC)(C[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(C[5]C[5]P[5]C)	108.6767	0.577	4	108.6767	0.332	4	108.1639	2.424	19	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]P[5]H)(CH3)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(CH3)(H)2	H(C[5]C[5]P[5]C)	106.8649	0.989	8	106.8649	0.978	8	108.1639	2.424	19	107.9950	2.896	306	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(CCHO)(H)	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(CCHO)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	H(C[5]C[5,5,6]C[5]C)	106.3510	0.000	1	106.3510	0.000	1	106.3510	0.000	1	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:N-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCHN)(H)	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCHN)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	H(C[5]C[5,5]C[5]C)	106.7550	0.000	1	106.7550	0.000	1	106.7550	0.000	1	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HN)(CCHO)(H)	C(C[5]C[5,5]C[5]H)(CH3)(OC)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HN)(CCHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5,5]C[5]H)(CH3)(OC)(H)	H(C[5]C[5,5]C[5]C)	105.5920	0.000	1	105.5920	0.000	1	106.8327	2.658	3	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHO)(H)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(OH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5,5]C[5]H)(CC[5]HH)(OH)(H)	H(C[5]C[5,5]C[5]C)	106.2270	0.000	1	106.2270	0.000	1	106.8327	2.658	3	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HO)(CCHO)(H)	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HO)(CCHO)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	H(C[5]C[5,5]C[5]C)	108.6790	0.000	1	108.6790	0.000	1	106.8327	2.658	3	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5,6]HH)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5,6]HH)(CCHO)(H){2|H<1>,2|O<2>,3|C<4>}	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	H(C[5]C[5,6]C[5]C)	107.4570	0.000	1	107.4570	0.000	1	107.3945	0.105	10	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){1|F<1>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	H(C[5]C[5,6]C[5]C)	107.7057	0.153	4	107.4868	0.132	6	107.3945	0.105	10	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	H(C[5]C[5,6]C[5]C)	107.0490	0.122	2	107.4868	0.132	6	107.3945	0.105	10	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	H(C[5]C[5,6]C[5]C)	107.2850	0.000	1	107.2850	0.000	1	107.3945	0.105	10	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	H(C[5]C[5,6]C[5]C)	106.9310	0.000	1	106.9310	0.000	1	107.3945	0.105	10	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	H(C[5]C[5,6]C[5]C)	107.3510	0.000	1	107.3510	0.000	1	107.3945	0.105	10	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H)	C(C[3]C[3]O[3]C)(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H){1|C<4>,3|H<1>}	C(C[3]C[3]O[3]C)(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	106.1880	0.000	1	106.1880	0.000	1	106.1880	0.000	1	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	106.7550	0.000	1	106.5472	0.178	5	106.5472	0.178	5	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	106.4952	0.468	4	106.5472	0.178	5	106.5472	0.178	5	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CH3)(CC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCCH)(H){1|O<1>}	C(C[5]C[5]2H)(CH3)(CC)(H)	H(C[5]C[5]2C)	109.0660	0.222	4	109.0660	0.049	4	108.7990	0.393	5	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCCH)(H)	C(C[5]C[5]2H)(CH3)(CN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(CH3)(CN)(H)	H(C[5]C[5]2C)	107.7310	0.000	1	107.7310	0.000	1	108.7990	0.393	5	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(C[5]C[5]2C)	107.3015	0.008	2	107.3015	0.000	2	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H)	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	H(C[5]C[5]2C)	106.6330	0.000	1	106.6330	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H)	C(C[5]C[5]2H)(CH3)(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CH3)(OSi)(H)	H(C[5]C[5]2C)	107.8700	0.000	1	107.8700	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H)	C(C[5]C[5]2H)(CH3)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H){2|C<3>}	C(C[5]C[5]2H)(CH3)(OC)(H)	H(C[5]C[5]2C)	109.3810	0.000	1	109.3810	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H){1|C<3>,1|N<2>}	C(C[5]C[5]2H)(CH3)(OH)(H)	H(C[5]C[5]2C)	107.6620	0.000	1	107.6620	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H)	C(C[5]C[5]2H)(CH3)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CH3)(OC)(H)	H(C[5]C[5]2C)	107.4785	0.162	2	107.4785	0.026	2	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHO)(H)	C(C[5]C[5]2H)(CCHO)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHO)(H){1|O<1>}	C(C[5]C[5]2H)(CCHO)(OH)(H)	H(C[5]C[5]2C)	108.7340	0.747	2	108.7340	0.558	2	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHO)(H)	C(C[5]C[5]2H)(CH3)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHO)(H){1|O<1>}	C(C[5]C[5]2H)(CH3)(OC)(H)	H(C[5]C[5]2C)	108.0640	0.000	1	108.0640	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(CCHO)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(CCHO)(H){4|H<1>}	C(C[5]C[5]2H)(CH3)(OH)(H)	H(C[5]C[5]2C)	108.1150	0.000	1	108.1150	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHO)(H)	C(C[5]C[5]2H)(CH3)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHO)(H){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(CH3)(OC)(H)	H(C[5]C[5]2C)	107.9430	0.000	1	107.9430	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(C[5]C[5]2C)	108.8660	0.000	1	108.8660	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	C(C[5]C[5]2H)(CC3)(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CC3)(OSi)(H)	H(C[5]C[5]2C)	107.4950	0.000	1	107.4950	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<3>,3|H<1>}	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	H(C[5]C[5]2C)	107.1330	0.096	2	107.1330	0.009	2	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	C(C[5]C[5]2H)(CH3)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CH3)(OC)(H)	H(C[5]C[5]2C)	107.9890	0.000	1	107.9890	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	C(C[5]C[5]2H)(CHHO)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){2|H<1>}	C(C[5]C[5]2H)(CHHO)(OH)(H)	H(C[5]C[5]2C)	107.0960	0.000	1	107.0960	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHO)(H)	C(C[5]C[5]2H)(CHHO)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(CHHO)(OH)(H)	H(C[5]C[5]2C)	108.8340	0.000	1	108.8340	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCHO)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCCH)(OH)(H)	H(C[5]C[5]2C)	110.2550	0.000	1	110.2550	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCHO)(H)	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCHO)(H){4|H<1>}	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	H(C[5]C[5]2C)	108.9325	0.054	2	108.9325	0.003	2	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(C[5]C[5]2C)	108.4020	0.108	3	108.4020	0.012	3	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(C[5]C[5]2C)	106.6010	0.000	1	107.6050	2.016	2	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(C[5]C[5]2C)	108.6090	0.000	1	107.6050	2.016	2	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(C[5]C[5]2C)	108.1330	0.000	1	108.1330	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CCHO)(H){1|O<1>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(OSi)(H)	H(C[5]C[5]2C)	109.8630	0.000	1	109.8630	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]ReH)(CCHO)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]ReH)(CCHO)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]2H)(CH3)(OH)(H)	H(C[5]C[5]2C)	107.9150	0.000	1	107.9150	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(C[5]C[5]2C)	108.1910	0.000	1	108.1910	0.000	1	108.1213	0.770	32	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]2C)	106.6392	0.369	6	106.6392	0.136	6	106.7960	0.642	9	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H)	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	105.6230	0.000	1	105.6230	0.000	1	106.7960	0.642	9	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H)	C(C[5]C[5]2H)2(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H){4|H<1>}	C(C[5]C[5]2H)2(OH)(H)	H(C[5]C[5]2C)	107.2630	0.000	1	107.2630	0.000	1	106.7960	0.642	9	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CC[5]HO)(H)	C(C[5]C[5]2H)2(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC[5]HO)(H){4|H<1>}	C(C[5]C[5]2H)2(OH)(H)	H(C[5]C[5]2C)	108.4430	0.000	1	108.4430	0.000	1	106.7960	0.642	9	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	H(C[5]C[5]2C)	106.9600	0.000	1	106.9600	0.000	1	106.9600	0.000	1	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]HO)(H)	C(C[6]C[3,6]C[5,6]H)(C[5]C[5]2H)(OO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[3,6]C[5,6]H)(C[5]C[5]2H)(OO)(H)	H(C[5]C[5]2C)	108.0960	0.000	1	108.0960	0.000	1	107.1435	1.815	2	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HO)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HO)(H){1|O<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]2C)	106.1910	0.000	1	106.1910	0.000	1	107.1435	1.815	2	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHS)(H)	C(C[5]C[5]N[5]H)(CCHH)(SC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHS)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(SC)(H)	H(C[5]C[5]N[5]C)	108.9870	0.000	1	108.9870	0.000	1	108.9870	0.000	1	107.6302	1.082	71	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(CC3)(H)	C(C[5]C[5]2H)(CC[6a]HH)(CN)2	H(C[5]C[5]2C)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(CC3)(H){4|H<1>}	C(C[5]C[5]2H)(CC[6a]HH)(CN)2	H(C[5]C[5]2C)	107.8240	0.000	1	107.8240	0.000	1	107.8240	0.000	1	107.8240	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCH)(H){3|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	H(C[5]C[5,6]C[5]C)	107.7720	0.000	1	107.7720	0.000	1	107.0988	0.297	45	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	H(C[5]C[5,6]C[5]C)	107.3154	0.286	5	107.3154	0.082	5	107.0988	0.297	45	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	H(C[5]C[5,6]C[5]C)	108.0100	0.000	1	107.1007	0.305	31	107.0988	0.297	45	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	H(C[5]C[5,6]C[5]C)	107.3738	0.379	5	107.1007	0.305	31	107.0988	0.297	45	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	H(C[5]C[5,6]C[5]C)	106.8476	0.315	9	107.1007	0.305	31	107.0988	0.297	45	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	H(C[5]C[5,6]C[5]C)	107.4175	0.290	4	107.1007	0.305	31	107.0988	0.297	45	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	H(C[5]C[5,6]C[5]C)	106.9955	0.689	12	107.1007	0.305	31	107.0988	0.297	45	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CNO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(CNO)(H)	H(C[5]C[5,6]C[5]C)	107.2550	0.529	2	107.2550	0.280	2	107.0988	0.297	45	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	H(C[5]C[5,6]C[5]C)	107.1775	0.235	2	107.1132	0.063	4	107.0988	0.297	45	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	H(C[5]C[5,6]C[5]C)	107.0490	0.344	2	107.1132	0.063	4	107.0988	0.297	45	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	H(C[5]C[5,6]C[5]C)	105.9390	0.000	1	105.9390	0.000	1	107.0988	0.297	45	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5,6]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5,6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	C(C[5]C[5,6]C[5]H)(CH3)(CCO)(H)	H(C[5]C[5,6]C[5]C)	106.0700	0.000	1	106.0700	0.000	1	107.0988	0.297	45	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H)	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	H(C[5]C[5,6]C[5]C)	107.3260	0.103	2	107.3260	0.011	2	107.2414	0.057	7	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H)	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	H(C[5]C[5,6]C[5]C)	107.1860	0.000	1	107.1860	0.000	1	107.2414	0.057	7	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	H(C[5]C[5,6]C[5]C)	107.4380	0.000	1	107.3433	0.053	3	107.2414	0.057	7	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	H(C[5]C[5,6]C[5]C)	107.2960	0.304	2	107.3433	0.053	3	107.2414	0.057	7	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	H(C[5]C[5,6]C[5]C)	106.8220	0.000	1	106.8220	0.000	1	107.2414	0.057	7	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(CCH)(H)	H(C[5]C[5]2C)	107.1090	0.000	1	107.1090	0.000	1	105.4912	28.561	9	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|H<1>}	C(C[5]C[5]2H)(CCHH)(COO)(H)	H(C[5]C[5]2C)	96.4285	0.000	2	96.4285	0.000	2	105.4912	28.561	9	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CH3)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(CH3)(CCH)(H)	H(C[5]C[5]2C)	107.0240	0.000	1	107.0240	0.000	1	105.4912	28.561	9	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	C(C[5]C[5]2H)(CCHH)(CCO)(H)	H(C[5]C[5]2C)	107.4415	0.555	2	107.4415	0.308	2	105.4912	28.561	9	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCCH)(H)	C(C[5]C[5]2H)(CHHO)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(CHHO)(COO)(H)	H(C[5]C[5]2C)	107.1980	0.000	1	107.1980	0.000	1	105.4912	28.561	9	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CH3)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCCH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CH3)(CCH)(H)	H(C[5]C[5]2C)	108.6660	0.000	1	108.6660	0.000	1	105.4912	28.561	9	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CC[6a]HO)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CC[6a]HO)(CCH)(H)	H(C[5]C[5]2C)	111.6840	0.000	1	111.6840	0.000	1	105.4912	28.561	9	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHN)(H)	C(C[5]C[5]2H)(CC[6a]HH)(NCS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHN)(H){4|H<1>}	C(C[5]C[5]2H)(CC[6a]HH)(NCS)(H)	H(C[5]C[5]2C)	105.4855	0.053	2	105.4855	0.003	2	106.3330	1.074	5	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCHN)(H)	C(C[5]C[5]2H)(CHHO)(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCHN)(H){1|O<1>}	C(C[5]C[5]2H)(CHHO)(NCH)(H)	H(C[5]C[5]2C)	105.7820	0.000	1	105.7820	0.000	1	106.3330	1.074	5	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CCHN)(H)	C(C[5]C[5]2H)(CC[5]HO)(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CCHN)(H){1|C<3>,3|H<1>}	C(C[5]C[5]2H)(CC[5]HO)(NCH)(H)	H(C[5]C[5]2C)	107.4560	0.174	2	107.4560	0.030	2	106.3330	1.074	5	106.8367	4.123	66	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(OH)	H(C[5]C[5,6]C[5]C)	106.0430	0.379	2	106.0430	0.144	2	106.0430	0.144	2	108.1142	3.872	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)2(CCCO)(H)	C(C[5]C[5]2H)(CHHO)(CCO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCCO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(CHHO)(CCO)(OH)	H(C[5]C[5]2C)	109.8120	0.663	2	109.8120	0.440	2	109.4950	0.521	3	108.1142	3.872	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5]2H)(CH3)(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2H)(CH3)(COO)(OH)	H(C[5]C[5]2C)	108.8610	0.000	1	108.8610	0.000	1	109.4950	0.521	3	108.1142	3.872	5	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]HH)2(CCCN)(H)	C(C[5]C[5]2H)(CH3)(CNO)(NCH)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCCN)(H){4|H<1>}	C(C[5]C[5]2H)(CH3)(CNO)(NCH)	H(C[5]C[5]2C)	107.1740	0.000	1	107.1740	0.000	1	107.1740	0.000	1	107.1740	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CCCH)(H)	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	H(C[5]C[3,5]C[5,5]C)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	H(C[5]C[3,5]C[5,5]C)	109.1490	0.000	1	109.1490	0.000	1	108.9905	0.050	2	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]C[5]H)(CCCH)(H)	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	H(C[5]C[3,5]C[5,5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]C[5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	H(C[5]C[3,5]C[5,5]C)	108.8320	0.000	1	108.8320	0.000	1	108.9905	0.050	2	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[3,5]C[5]C)	108.4200	0.000	1	108.4200	0.000	1	107.3758	0.519	4	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[3,5]C[5]C)	107.0277	0.227	3	107.0277	0.052	3	107.3758	0.519	4	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(CCCH)(H)	C(C[5]C[3x5]C[5]H)(CH3)2(H)	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(CCCH)(H){2|C<4>,2|O<2>,5|H<1>}	C(C[5]C[3x5]C[5]H)(CH3)2(H)	H(C[5]C[3x5]C[5]C)	105.1510	0.023	2	105.1510	0.001	2	105.1510	0.001	2	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,5,6,6]C[5]H)(CH3)2(H)	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	C(C[5]C[5,5,6,6]C[5]H)(CH3)2(H)	H(C[5]C[5,5,6,6]C[5]C)	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(H)	C(C[5]C[5,5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(H){3|C<4>,4|O<2>}	C(C[5]C[5,5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,5,6]C[5]C)	105.9740	0.000	1	105.9740	0.000	1	105.9740	0.000	1	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:F-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CCCF)(H)	C(C[5]C[5,5]C[5]H)(CH3)2(F)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CCCF)(H){1|C<3>,1|N<2>,3|H<1>}	C(C[5]C[5,5]C[5]H)(CH3)2(F)	H(C[5]C[5,5]C[5]C)	107.3445	0.330	2	107.3445	0.109	2	107.3445	0.109	2	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,5]C[5]H)(CH3)2(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5,5]C[5]H)(CH3)2(H)	H(C[5]C[5,5]C[5]C)	107.6940	0.000	1	107.6940	0.000	1	107.4928	2.021	5	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCCH)(H)	C(C[5]C[5,5]C[5]H)(CH3)2(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C(C[5]C[5,5]C[5]H)(CH3)2(H)	H(C[5]C[5,5]C[5]C)	108.7440	0.000	1	108.7440	0.000	1	107.4928	2.021	5	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CCCH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CCCH)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,5]C[5]C)	105.4230	0.000	1	105.4230	0.000	1	107.4928	2.021	5	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HN)(CCCH)(H)	C(C[5]C[5,5]C[5]H)(CH3)2(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HN)(CCCH)(H){1|O<1>,1|S<4>,2|C<3>}	C(C[5]C[5,5]C[5]H)(CH3)2(H)	H(C[5]C[5,5]C[5]C)	108.8020	0.000	1	108.8020	0.000	1	107.4928	2.021	5	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CCCH)(H)	C(C[5]C[5,5]C[5]H)(CH3)2(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CCCH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,5]C[5]H)(CH3)2(H)	H(C[5]C[5,5]C[5]C)	106.8010	0.000	1	106.8010	0.000	1	107.4928	2.021	5	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	C(C[5]C[5,6,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6,6]C[5]C)	104.9530	0.000	1	105.3500	0.315	2	105.5893	0.329	3	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6,6]C[5]C)	105.7470	0.000	1	105.3500	0.315	2	105.5893	0.329	3	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(CCCH)(H)	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	H(C[5]C[5,6,6]C[5]C)	106.0680	0.000	1	106.0680	0.000	1	105.5893	0.329	3	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.1590	0.039	3	107.1590	0.002	3	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	107.0520	0.000	1	107.0520	0.000	1	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(CCCH)(H){3|C<4>,7|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	105.0980	0.000	1	105.0980	0.000	1	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.4020	0.000	1	107.0834	0.657	295	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.0050	0.000	1	107.0834	0.657	295	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	106.6004	0.672	10	107.0834	0.657	295	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.5745	0.030	2	107.0834	0.657	295	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.0915	0.957	13	107.0834	0.657	295	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	108.2950	0.000	1	107.0834	0.657	295	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	104.8190	0.000	1	107.0834	0.657	295	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|N<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.5200	0.000	2	107.0834	0.657	295	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.1467	0.692	7	107.0834	0.657	295	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.2381	1.056	116	107.0834	0.657	295	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.1650	0.000	1	107.0834	0.657	295	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	106.7990	0.000	1	107.0834	0.657	295	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	106.9984	0.439	127	107.0834	0.657	295	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	106.7741	0.849	12	107.0834	0.657	295	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.4750	0.000	1	107.5600	0.113	5	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	108.0570	0.000	1	107.5600	0.113	5	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.1170	0.000	1	107.5600	0.113	5	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.5670	0.000	1	107.5600	0.113	5	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.5840	0.000	1	107.5600	0.113	5	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CC[5]HH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.2890	0.000	1	107.2890	0.000	1	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.2400	0.126	2	107.2400	0.016	2	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	107.3650	0.000	1	106.3460	5.333	10	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	100.0140	0.000	1	106.3460	5.333	10	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	107.0101	0.690	8	106.3460	5.333	10	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.2000	0.000	1	107.2000	0.000	1	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	108.3850	2.050	3	108.3850	4.201	3	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.4380	0.327	2	107.4380	0.107	2	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	106.5380	0.000	1	106.1200	0.349	2	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	105.7020	0.000	1	106.1200	0.349	2	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(C[5]C[5,6]C[5]C)	106.2420	0.000	1	106.2420	0.000	1	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	H(C[5]C[5,6]C[5]C)	106.7660	0.000	1	106.7660	0.000	1	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	107.4470	0.000	1	107.3257	0.501	3	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	107.2650	0.990	2	107.3257	0.501	3	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	106.8770	0.000	1	106.8770	0.000	1	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	106.9605	0.305	2	106.9605	0.093	2	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	106.0420	0.000	1	106.0420	0.000	1	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	106.0940	0.000	1	106.0940	0.000	1	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CCCH)(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	107.0937	0.444	3	107.0937	0.197	3	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]HN)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]HN)(CCCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(C[5]C[5,6]C[5]C)	107.1650	0.000	1	107.1650	0.000	1	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCCH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	H(C[5]C[5,6]C[5]C)	109.4610	0.000	1	109.4610	0.000	1	107.0720	0.819	341	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[3]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H)	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	H(C[5]C[5,6]C[5]C)	106.9650	0.000	1	106.9650	0.000	1	106.8810	0.014	2	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[3]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H)	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	H(C[5]C[5,6]C[5]C)	106.7970	0.000	1	106.7970	0.000	1	106.8810	0.014	2	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	H(C[5]C[5,6]C[5]C)	106.4560	0.000	1	106.4560	0.000	1	106.4560	0.000	1	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	H(C[5]C[5,6]C[5]C)	108.8180	0.000	1	107.6858	0.804	5	107.6858	0.804	5	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	H(C[5]C[5,6]C[5]C)	107.4027	0.733	4	107.6858	0.804	5	107.6858	0.804	5	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]CH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]CH)(H){2|H<1>}	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(CH3)(H)	H(C[5]C[5]2C)	106.6355	1.170	2	106.6355	1.370	2	106.6355	1.370	2	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	107.4050	0.000	1	107.4050	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CHHO)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)(CCCH)(H){1|O<2>,3|C<4>}	C(C[5]C[5]2H)(CHHO)(CH3)(H)	H(C[5]C[5]2C)	108.5480	0.153	2	108.5480	0.023	2	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	106.1520	0.000	1	106.1520	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	107.9940	1.182	2	107.9940	1.398	2	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(CCCH)(H){2|H<1>,2|O<2>}	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(C[5]C[5]2C)	105.4930	0.000	1	105.4930	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CCHO)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5]2H)(CCHO)(CH3)(H)	H(C[5]C[5]2C)	107.3285	0.443	2	107.3285	0.197	2	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]HO)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]O[5]HO)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	108.8170	0.000	1	108.8170	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	106.2720	0.000	1	106.2720	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(C[5]C[5]2C)	107.2130	0.461	2	107.1177	0.134	3	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|H<1>}	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(C[5]C[5]2C)	106.9270	0.000	1	107.1177	0.134	3	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	106.8725	2.056	2	107.1127	0.929	6	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	107.3360	0.000	1	107.1127	0.929	6	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	106.8300	0.000	1	107.1127	0.929	6	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	107.3825	0.169	2	107.1127	0.929	6	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CHHO)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CHHO)(CH3)(H)	H(C[5]C[5]2C)	107.6520	0.000	1	107.6520	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HN)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(CCCH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	106.3435	1.090	2	106.3435	1.187	2	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H)	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H){1|O<2>,3|H<1>}	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(C[5]C[5]2C)	107.4725	0.175	2	107.4725	0.031	2	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	105.2280	0.000	1	105.2280	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCCH)(H){1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	105.8930	0.000	1	105.8930	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(C[5]C[5]2C)	105.3977	0.143	3	105.3977	0.021	3	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	H(C[5]C[5]2C)	106.0340	0.000	1	106.0340	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	106.4170	0.000	1	106.4170	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CHHO)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	C(C[5]C[5]2H)(CHHO)(CH3)(H)	H(C[5]C[5]2C)	107.2680	0.000	1	107.2680	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	103.7190	0.000	1	103.7190	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(C[5]C[5]2C)	108.0680	0.000	1	107.5486	0.326	5	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(C[5]C[5]2C)	107.4188	0.568	4	107.5486	0.326	5	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CHHO)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(CHHO)(CH3)(H)	H(C[5]C[5]2C)	104.5110	0.000	1	104.5110	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CCCH)(H){1|O<1>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	109.1820	0.000	1	109.1820	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CCCH)(H){1|Si<4>,1|C<3>,1|H<1>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	107.5610	0.000	1	107.5610	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	107.4630	0.000	1	107.4630	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCCH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	H(C[5]C[5]2C)	109.7080	0.000	1	109.7080	0.000	1	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCCH)(H)	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCCH)(H){4|H<1>}	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	H(C[5]C[5]2C)	107.8235	0.449	2	107.8235	0.202	2	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5]2H)(CH3)2(H)	H(C[5]C[5]2C)	105.9900	0.177	2	105.9900	0.031	2	106.9946	1.554	48	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(CSiCH)(H)	C(C[5]C[5]2H)(SiC[6a]CC)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(CSiCH)(H){1|H<1>,3|C<4>}	C(C[5]C[5]2H)(SiC[6a]CC)(CCHH)(H)	H(C[5]C[5]2C)	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]O[5]HH)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]PdH)(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	H(C[5]C[5]N[5]C)	109.3720	0.000	1	109.3720	0.000	1	109.3720	0.000	1	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]P[5]H)(CH3)2(H)	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CCCH)(H){1|Fe<10>,3|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(CH3)2(H)	H(C[5]C[5]P[5]C)	106.7973	0.791	8	106.7973	0.626	8	106.2492	1.509	19	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]P[5]H)(CH3)2(H)	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(CH3)2(H)	H(C[5]C[5]P[5]C)	106.8252	0.624	4	106.8252	0.389	4	106.2492	1.509	19	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]P[5]H)(CH3)2(H)	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(CH3)2(H)	H(C[5]C[5]P[5]C)	105.1852	1.483	6	105.2936	1.915	7	106.2492	1.509	19	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5]P[5]H)(CH3)2(H)	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H){3|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(CH3)2(H)	H(C[5]C[5]P[5]C)	105.9440	0.000	1	105.2936	1.915	7	106.2492	1.509	19	107.0401	1.016	440	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]CO)(H)	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]CO)(H){1|H<1>,2|C<4>}	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	H(C[5]C[3,5]C[5]C)	105.8194	0.079	7	105.8194	0.006	7	105.8194	0.006	7	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[6,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6,6]CO)(H)	C(C[6,6]C[5,6,6]2H)(C[5]C[3,5]C[5]H)(CH3)(OH)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6,6]CO)(H){1|H<1>,2|C<4>}	C(C[6,6]C[5,6,6]2H)(C[5]C[3,5]C[5]H)(CH3)(OH)	H(C[5]C[3,5]C[5]C)	105.8400	0.000	1	105.8400	0.000	1	105.8400	0.000	1	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(CCCO)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5,5]C[5]C)	107.0780	0.000	1	107.0780	0.000	1	106.9260	0.046	2	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CCCO)(H)	C(C[5]C[5,5]C[5]H)(CH3)2(OH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CCCO)(H){1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C(C[5]C[5,5]C[5]H)(CH3)2(OH)	H(C[5]C[5,5]C[5]C)	106.7740	0.000	1	106.7740	0.000	1	106.9260	0.046	2	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:N-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCN)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCN)(H){3|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	H(C[5]C[5,6]C[5]C)	108.7500	0.000	1	108.7500	0.000	1	108.7500	0.000	1	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	H(C[5]C[5,6]C[5]C)	105.7190	0.351	4	105.6662	0.107	5	106.2640	1.116	7	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	H(C[5]C[5,6]C[5]C)	105.4550	0.000	1	105.6662	0.107	5	106.2640	1.116	7	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5,6]C[5]C)	107.6760	0.000	1	107.6760	0.000	1	106.2640	1.116	7	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCO)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCO)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	H(C[5]C[5,6]C[5]C)	107.8410	0.000	1	107.8410	0.000	1	106.2640	1.116	7	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	H(C[5]C[5,6]C[5]C)	105.2455	0.108	2	105.2455	0.012	2	105.7430	0.748	3	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	H(C[5]C[5,6]C[5]C)	106.7380	0.000	1	106.7380	0.000	1	105.7430	0.748	3	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-2:	C[5]-4:	C[5](C[5]C[5,5]HH)2(CC3)(H)	C(C[5]C[5]2H)(CH3)2(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)2(CC3)(H){1|H<1>,3|C<4>}	C(C[5]C[5]2H)(CH3)2(CN)	H(C[5]C[5]2C)	107.6810	0.000	1	107.4510	0.106	2	107.4510	0.106	2	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-2:	C[5]-4:	C[5](C[5]C[5,5]HH)2(CC3)(H)	C(C[5]C[5]2H)(CH3)2(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)2(CC3)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(CH3)2(CN)	H(C[5]C[5]2C)	107.2210	0.000	1	107.4510	0.106	2	107.4510	0.106	2	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)2(CCCN)(H)	C(C[5]C[5]2H)(CF3)(CH3)(NC)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCCN)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(CF3)(CH3)(NC)	H(C[5]C[5]2C)	105.4460	1.461	2	105.4460	2.134	2	105.4460	2.134	2	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(C[5]C[5]2C)	106.5880	0.000	1	106.5880	0.000	1	107.0366	1.509	12	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5,6]HO)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,5,6]HO)(C[5]C[5]HH)(CCCO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	105.9350	0.000	1	105.9350	0.000	1	107.0366	1.509	12	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCCO)(H)	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	105.9490	0.000	1	105.9490	0.000	1	107.0366	1.509	12	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCCO)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	107.9790	0.000	1	107.9790	0.000	1	107.0366	1.509	12	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H)	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H){2|C<3>}	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	108.3480	0.037	2	108.3480	0.001	2	107.0366	1.509	12	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H)	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H){4|C<3>}	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	108.8670	0.000	1	108.8670	0.000	1	107.0366	1.509	12	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(C[5]C[5]2C)	104.9130	0.000	1	104.9130	0.000	1	107.0366	1.509	12	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	106.5820	0.000	1	106.5820	0.000	1	107.0366	1.509	12	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(C[5]C[5]2C)	107.1120	0.000	1	107.1120	0.000	1	107.0366	1.509	12	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	107.7950	0.000	1	107.7950	0.000	1	107.0366	1.509	12	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCO)(H)	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CH3)2(OH)	H(C[5]C[5]2C)	106.0230	0.000	1	106.0230	0.000	1	107.0366	1.509	12	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[3]O[5]C)(C[5]C[5]HH)(CC[6]CO)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]C)(C[5]C[5]HH)(CC[6]CO)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	H(C[5]C[5]2C)	105.7050	0.054	2	105.7050	0.003	2	104.8889	0.330	10	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CO)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	H(C[5]C[5]2C)	104.3773	0.127	4	104.3773	0.016	4	104.8889	0.330	10	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]CO)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]CO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	H(C[5]C[5]2C)	105.0210	0.000	1	105.0210	0.000	1	104.8889	0.330	10	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[6]CO)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[6]CO)(H){1|O<1>}	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	H(C[5]C[5]2C)	104.9830	0.497	3	104.9830	0.247	3	104.8889	0.330	10	106.1570	1.505	47	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC3)(H)	C(C[5]C[5,5]C[5]H)(CH3)2(CCO)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C(C[5]C[5,5]C[5]H)(CH3)2(CCO)	H(C[5]C[5,5]C[5]C)	106.1460	0.000	1	106.1460	0.000	1	106.1460	0.000	1	106.1460	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HH)(CC3)(H)	C(C[5]C[3x5]C[5]H)(CH3)3	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HH)(CC3)(H){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	C(C[5]C[3x5]C[5]H)(CH3)3	H(C[5]C[3x5]C[5]C)	105.4960	0.000	1	105.4960	0.000	1	105.9980	0.504	2	106.4746	0.746	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HO)(CC3)(H)	C(C[5]C[3x5]C[5]H)(CH3)3	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HO)(CC3)(H){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	C(C[5]C[3x5]C[5]H)(CH3)3	H(C[5]C[3x5]C[5]C)	106.5000	0.000	1	106.5000	0.000	1	105.9980	0.504	2	106.4746	0.746	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CC3)(H)	C(C[5]C[5,5]C[5]H)(CH3)3	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CC3)(H){1|C<3>,1|O<2>,3|H<1>}	C(C[5]C[5,5]C[5]H)(CH3)3	H(C[5]C[5,5]C[5]C)	106.2062	1.115	5	106.2062	1.244	5	106.2062	1.244	5	106.4746	0.746	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(CC3)(H)	C(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)2(CC3)(H){2|S<2>}	C(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2C)	106.4550	0.000	1	106.4550	0.000	1	106.4613	1.238	11	106.4746	0.746	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	C(C[5]C[5]2H)(CCHH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(CH3)2	H(C[5]C[5]2C)	107.4340	0.552	2	105.8828	2.170	5	106.4613	1.238	11	106.4746	0.746	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	C(C[5]C[5]2H)(CCHH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(CH3)2	H(C[5]C[5]2C)	105.1420	0.000	1	105.8828	2.170	5	106.4613	1.238	11	106.4746	0.746	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	C(C[5]C[5]2H)(CCHH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(CH3)2	H(C[5]C[5]2C)	104.7020	0.474	2	105.8828	2.170	5	106.4613	1.238	11	106.4746	0.746	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	C(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){1|O<2>,3|H<1>}	C(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2C)	107.2790	0.000	1	107.2790	0.000	1	106.4613	1.238	11	106.4746	0.746	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)2(CC3)(H)	C(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC3)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2C)	106.9815	0.303	4	106.9815	0.092	4	106.4613	1.238	11	106.4746	0.746	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:S-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CCSS)(H)	C(C[5]C[5]2H)(CC[6a]HH)(SC[6a]OO)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CCSS)(H){1|O<1>}	C(C[5]C[5]2H)(CC[6a]HH)(SC[6a]OO)2	H(C[5]C[5]2C)	106.3305	0.323	2	106.3305	0.104	2	106.3305	0.104	2	106.4746	0.746	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:4:4:4:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[5]FeH)(C[5]C[5]HH)(CC[5]CC)(H)	C(C[5]C[5]N[5]H)2(CH3)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]FeH)(C[5]C[5]HH)(CC[5]CC)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)2(CH3)2	H(C[5]C[5]N[5]C)	106.8159	0.240	8	106.8159	0.058	8	106.8159	0.058	8	106.4746	0.746	28	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	4:4:4:1:	4:5:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-5:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]N[5]H)(OLi4)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OLi4)(H)2	H(C[5]C[5]N[5]C)	108.4687	0.365	3	108.4687	0.133	3	108.4687	0.133	3	108.4687	0.133	3	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	5:4:4:1:	4:1:1:1:	4:	C[5]-5:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]IrCC)(C[5]C[5]IrH)(CH3)(H)	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	C[5](C[5]C[5]IrCC)(C[5]C[5]IrH)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	H(C[5]C[5]2C)	110.0110	0.000	1	110.0110	0.000	1	110.0110	0.000	1	110.0110	0.000	1	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	6:4:4:1:	4:1:1:1:	4:	C[5x3,6x5,20x6]-6:C[5,5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)(H)	C(C[5]C[5x3,6x5,20x6]C[5,5]H)(H)3	H(C[5]C[5x3,6x5,20x6]C[5,5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)(H){2|C<4>,5|B<6>,5|H<1>}	C(C[5]C[5x3,6x5,20x6]C[5,5]H)(H)3	H(C[5]C[5x3,6x5,20x6]C[5,5]C)	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	107.7775	2.466	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	6:4:4:1:	4:1:1:1:	4:	Ge[3x5]-6:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](Ge[3x5]N[5,6]2O[5]3)(C[5]C[5]HH)(CH3)(H)	C(C[5]Ge[3x5]C[5]H)(H)3	H(C[5]Ge[3x5]C[5]C)	C[5](Ge[3x5]N[5,6]2O[5]3)(C[5]C[5]HH)(CH3)(H){1|O<1>,6|C<3>}	C(C[5]Ge[3x5]C[5]H)(H)3	H(C[5]Ge[3x5]C[5]C)	106.6670	0.000	1	106.6670	0.000	1	106.6670	0.000	1	107.7775	2.466	2	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	6:4:4:1:	4:4:1:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H){1|C<3>,4|H<1>,5|B<6>}	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]C)	107.7200	0.352	4	107.7692	0.105	5	107.3431	1.718	10	107.3431	1.718	10	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	6:4:4:1:	4:4:1:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H){1|O<1>,4|H<1>,5|B<6>}	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]C)	107.9660	0.000	1	107.7692	0.105	5	107.3431	1.718	10	107.3431	1.718	10	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	6:4:4:1:	4:4:1:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H){2|C<3>,5|B<6>,6|H<1>}	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]C)	108.1000	0.000	1	108.1000	0.000	1	107.3431	1.718	10	107.3431	1.718	10	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	6:4:4:1:	4:4:1:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]P[5]HH)(CCHH)(H)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]P[5]HH)(CCHH)(H){1|C<3>,1|O<1>,4|H<1>,5|B<6>}	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]C)	107.7810	0.000	1	107.7810	0.000	1	107.3431	1.718	10	107.3431	1.718	10	108.5306	2.843	7711	108.5199	2.870	7889
474	490	951	0:SP3_SP-NON_SP3	C[5]	C	H	6:4:4:1:	4:4:1:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(CCHH)(H)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,4|H<1>,5|B<6>}	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]C)	106.2347	2.200	3	106.2347	4.840	3	107.3431	1.718	10	107.3431	1.718	10	108.5306	2.843	7711	108.5199	2.870	7889