854	466	952	0:SP3_SP3_SP3	N[6]	C[6]	S	4:4:4:1:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:N[6]-4:O-1:O-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)(H)	C[6](N[6]C[6]HS)(C[6]C[6]H)(H)2	S(C[6a]C[6a]2)(N[6]C[6]2H)(O)2	N[6](C[6]C[6]HH)2(SC[6a]OO)(H){1|Br<1>,1|C<3>,2|H<1>}	C[6](N[6]C[6]HS)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2H)(O)2	118.3200	0.000	1	118.3200	0.000	1	118.3200	0.000	1	118.3200	0.000	1	117.0000	3.485	2	117.0000	3.485	2
854	466	952	0:SP3_SP3_SP3	N[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:O-1:O-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(N[6]C[6]2H)(O)2	N[6](C[6]C[6]HH)2(SC[6a]OO)(H){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2{2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2H)(O)2	115.6800	0.000	1	115.6800	0.000	1	115.6800	0.000	1	115.6800	0.000	1	117.0000	3.485	2	117.0000	3.485	2
854	466	956	0:SP3_SP3_SP3	N[6]	C[6,6]	N	4:4:4:3:	4:4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H)	N(N[6]C[6,6]C[6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H){2|C<4>,3|C<3>,3|H<1>}	N(N[6]C[6,6]C[6]C)(H)2	111.7350	0.000	1	111.7350	0.000	1	111.7350	0.000	1	111.7350	0.000	1	111.7350	0.000	1	109.6785	8.458	2
854	466	956	0:SP3_SP3_SP3	N[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:1:1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2	N(N[6]C[6,6]C[6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2{1|C<3>,1|H<1>,3|C<4>}	N(N[6]C[6,6]C[6]C)(H)2	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	109.6785	8.458	2
854	466	961	6:SP3_SP3_SP3	N[3x6]	C[6,6]	S[6,6]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:O-1:O-1:	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H)	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2	S[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(O)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H){1|Rh<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	S[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(O)2{1|N<3>,1|P<4>,8|H<1>}	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	110.6375	4.419	2	110.6375	4.419	2
854	466	961	6:SP3_SP3_SP3	N[3x6]	C[6,6]	S[6,6]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:H-1:	N[3x6]-4:P[3x6]-4:H-1:H-1:	N[3x6]-4:N[3x6]-3:O-1:O-1:	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H)	C[6,6](N[3x6]C[6,6]S[6,6]H)(P[3x6]C[6,6]2Rh)(H)2	S[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(O)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H){1|Rh<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]S[6,6]H)(P[3x6]C[6,6]2Rh)(H)2{2|N<3>,2|O<1>,6|H<1>}	S[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(O)2{1|N<3>,1|P<4>,8|H<1>}	112.1240	0.000	1	112.1240	0.000	1	112.1240	0.000	1	112.1240	0.000	1	110.6375	4.419	2	110.6375	4.419	2
854	466	984	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	Ga	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:Cl-1:Cl-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(GaCl2H)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	Ga(N[3x6]C[6,6]3)(Cl)2(H)	N[3x6](C[6,6]C[6,6]HH)3(GaCl2H){1|C<4>,6|H<1>}	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	Ga(N[3x6]C[6,6]3)(Cl)2(H)	110.9770	3.024	2	110.9770	9.142	2	110.9770	9.142	2	110.9770	9.142	2	110.6052	11.212	8	110.9874	9.815	10
854	466	984	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	Ga	4:4:4:4:	4:4:1:1:	4:3:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:N-3:N-3:H-1:	N[3x6](C[6,6]C[6,6]HH)3(GaHNN)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	Ga(N[3x6]C[6,6]3)(NC[6a]H)2(H)	N[3x6](C[6,6]C[6,6]HH)3(GaHNN){1|C<4>,6|H<1>}	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	Ga(N[3x6]C[6,6]3)(NC[6a]H)2(H)	110.4163	1.252	3	110.4163	1.568	3	110.4813	13.794	6	110.4813	13.794	6	110.6052	11.212	8	110.9874	9.815	10
854	466	984	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	Ga	4:4:4:4:	4:4:1:1:	4:3:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:N-3:N-3:H-1:	N[3x6](C[6,6]C[6,6]HH)3(GaHNN)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	Ga(N[3x6]C[6,6]3)(NSi2)2(H)	N[3x6](C[6,6]C[6,6]HH)3(GaHNN){1|C<4>,6|H<1>}	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	Ga(N[3x6]C[6,6]3)(NSi2)2(H)	110.5463	5.736	3	110.5463	32.905	3	110.4813	13.794	6	110.4813	13.794	6	110.6052	11.212	8	110.9874	9.815	10
854	466	984	0:SP3_SP-NON_SP3	N[6]	C[6]	Ga	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:Ga-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:Cl-1:Cl-1:Cl-1:	N[6](C[6]C[6]HH)2(GaCl3)(H)	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2	Ga(N[6]C[6]2H)(Cl)3	N[6](C[6]C[6]HH)2(GaCl3)(H){1|C<4>,4|H<1>}	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	Ga(N[6]C[6]2H)(Cl)3	112.5160	2.003	2	112.5160	4.010	2	112.5160	4.010	2	112.5160	4.010	2	112.5160	4.010	2	110.9874	9.815	10
854	474	490	0:SP3_SP3_SP3	N[6]	C[5,6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H)	C(N[6]C[5,6,6]C[6]H)(H)3	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H){3|O<2>,5|C<4>,6|H<1>}	C(N[6]C[5,6,6]C[6]H)(H)3	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	112.2150	1.431	3
854	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:4:	4:4:3:4:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:N[6]-4:C[5]-3:C-4:	N[6]-4:H-1:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3)	C(N[6]C[5,6]C[6]C)(H)3	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C(N[6]C[5,6]C[6]C)(H)3	112.0195	1.623	2	112.0195	2.634	2	112.0195	2.634	2	112.0195	2.634	2	112.0195	2.634	2	112.2150	1.431	3
854	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[6,6a]-3:N[6]-4:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	112.0000	0.000	1	112.0000	0.000	1	112.6205	0.770	2	112.6205	0.770	2	112.6205	0.770	2	112.6205	0.770	2
854	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[6,6a]-3:N[6]-4:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	113.2410	0.000	1	113.2410	0.000	1	112.6205	0.770	2	112.6205	0.770	2	112.6205	0.770	2	112.6205	0.770	2
854	474	951	0:SP3_SP-NON_SP3	N[3x6]	C[5,4x6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	N[3x6]-4:	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	H(N[3x6]C[5,4x6]C[6,6]2)	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H){1|N<3>,4|H<1>,6|C<3>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	H(N[3x6]C[5,4x6]C[6,6]2)	108.1690	0.000	1	108.1690	0.000	1	108.0850	0.014	2	108.0850	0.014	2	108.0850	0.014	2	108.6949	13.357	31
854	474	951	0:SP3_SP-NON_SP3	N[3x6]	C[5,4x6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	N[3x6]-4:	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	H(N[3x6]C[5,4x6]C[6,6]2)	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H){1|N<3>,4|H<1>,6|C<3>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	H(N[3x6]C[5,4x6]C[6,6]2)	108.0010	0.000	1	108.0010	0.000	1	108.0850	0.014	2	108.0850	0.014	2	108.0850	0.014	2	108.6949	13.357	31
854	474	951	0:SP3_SP-NON_SP3	N[6,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	N[6,6]-4:	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(N[6,6]C[5,6]C[6,6]C[6])	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,9|H<1>}	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,9|H<1>}	H(N[6,6]C[5,6]C[6,6]C[6])	106.5900	0.000	1	106.5900	0.000	1	106.5900	0.000	1	106.5900	0.000	1	106.5900	0.000	1	108.6949	13.357	31
854	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H)	H(N[6]C[5,6,6]C[6]C)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H){3|O<2>,5|C<4>,6|H<1>}	H(N[6]C[5,6,6]C[6]C)	102.4920	0.000	1	102.4920	0.000	1	102.4920	0.000	1	102.4920	0.000	1	102.4920	0.000	1	108.6949	13.357	31
854	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H)	H(N[6]C[6,6a]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	H(N[6]C[6,6a]C[5,6]H)	112.3995	1.654	2	112.3995	2.735	2	110.9657	3.657	4	110.9657	3.657	4	109.9949	12.557	20	108.6949	13.357	31
854	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H)	H(N[6]C[6,6a]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[5,6]H)	109.5320	0.115	2	109.5320	0.013	2	110.9657	3.657	4	110.9657	3.657	4	109.9949	12.557	20	108.6949	13.357	31
854	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H)	H(N[6]C[5,6]C[6]H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(N[6]C[5,6]C[6]H)	109.8380	4.105	14	109.8380	16.847	14	109.8380	16.847	14	109.8380	16.847	14	109.9949	12.557	20	108.6949	13.357	31
854	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-4:C-4:	N[6]-4:	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH)	H(N[6]C[5,6]C[6]H)	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH){1|C<4>,8|H<1>}	H(N[6]C[5,6]C[6]H)	109.1520	1.749	2	109.1520	3.060	2	109.1520	3.060	2	109.1520	3.060	2	109.9949	12.557	20	108.6949	13.357	31
854	474	951	0:SP3_SP-NON_SP3	N[6]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:B[5,6a]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H)	H(N[6]C[5]C[6]2)	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H){2|C<3>,4|H<1>,4|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H){2|B<3>,2|C<3>,2|C<4>,5|H<1>}	H(N[6]C[5]C[6]2)	106.7650	0.000	1	106.7650	0.000	1	106.7650	0.000	1	106.7650	0.000	1	106.3416	7.651	7	108.6949	13.357	31
854	474	951	0:SP3_SP-NON_SP3	N[6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:N[6]-4:C[5]-3:H-1:	N[6]-4:	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	H(N[6]C[5]C[6]2)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(N[6]C[5]C[6]2)	103.6640	0.000	1	103.6640	0.000	1	103.6640	0.000	1	107.4135	28.118	2	106.3416	7.651	7	108.6949	13.357	31
854	474	951	0:SP3_SP-NON_SP3	N[6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:N[6]-4:C[5]-3:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	H(N[6]C[5]C[6]2)	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(N[6]C[5]C[6]2)	111.1630	0.000	1	111.1630	0.000	1	111.1630	0.000	1	107.4135	28.118	2	106.3416	7.651	7	108.6949	13.357	31
854	474	951	0:SP3_SP-NON_SP3	N[6]	C[5]	H	4:4:4:1:	4:4:3:4:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:N[6]-4:C[5]-3:C-4:	N[6]-4:	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H)	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3)	H(N[6]C[5]C[6]2)	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(N[6]C[5]C[6]2)	104.9500	0.000	1	104.9500	0.000	1	104.9500	0.000	1	104.9500	0.000	1	106.3416	7.651	7	108.6949	13.357	31
854	474	951	0:SP3_SP-NON_SP3	N[6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H)	H(N[6]C[5]C[6]2)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H){2|C<4>,8|H<1>}	H(N[6]C[5]C[6]2)	105.9497	2.541	3	105.9497	6.458	3	105.9497	6.458	3	105.9497	6.458	3	106.3416	7.651	7	108.6949	13.357	31
854	478	490	0:SP3_SP3_SP3	N[6,6]	C[4,6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:N[6,6]-4:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(N[6,6]C[6,6]CH)(H)	C(N[6,6]C[4,6,6]C[6,6]H)(H)3	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(N[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>}	C(N[6,6]C[4,6,6]C[6,6]H)(H)3	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1
854	478	951	0:SP3_SP-NON_SP3	N[6,6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:N[6,6]-4:H-1:	N[6,6]-4:	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(N[6,6]C[6,6]CH)(H)	H(N[6,6]C[4,6,6]C[6,6]C)	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(N[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>}	H(N[6,6]C[4,6,6]C[6,6]C)	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1
854	486	951	0:SP3_SP-NON_SP3	N[6]	C[3,6]	H	4:4:4:1:	3:4:4:4:	4:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-4:	N[6]-4:	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2H)	H(N[6]C[3,6]C[6]2)	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2H){2|C<3>,3|C<4>,7|H<1>}	H(N[6]C[3,6]C[6]2)	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	108.8920	0.786	2	108.0418	1.537	4
854	486	951	0:SP3_SP-NON_SP3	N[6]	C[3,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:N[6]-4:	N[6]-4:	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(C[6]C[6]HH)(N[6]C[6]2H)	H(N[6]C[3,6]C[6]2)	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|F<1>,7|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(C[6]C[6]HH)(N[6]C[6]2H){3|C<4>,8|H<1>}	H(N[6]C[3,6]C[6]2)	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	108.8920	0.786	2	108.0418	1.537	4
854	486	951	0:SP3_SP-NON_SP3	N[6]	C[3]	H	4:4:4:1:	4:4:4:4:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:N[6]-4:C-4:	N[6]-4:	N[6](C[3]C[3]2C)(C[6]C[6]HH)2(H)	C[3](C[3]C[3]CH)(C[3]C[3]FF)(N[6]C[6]2H)(CCHH)	H(N[6]C[3]C[6]2)	N[6](C[3]C[3]2C)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|F<1>,5|H<1>}	C[3](C[3]C[3]CH)(C[3]C[3]FF)(N[6]C[6]2H)(CCHH){2|C<4>,4|H<1>}	H(N[6]C[3]C[6]2)	107.1915	0.967	2	107.1915	0.934	2	107.1915	0.934	2	107.1915	0.934	2	107.1915	0.934	2	108.0418	1.537	4
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2	C(N[6]C[6,6a]2C)(H)3	C(N[6]C[6,6a]2C)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C(N[6]C[6,6a]2C)(H)3	C(N[6]C[6,6a]2C)(H)3	108.4850	0.000	1	108.4850	0.000	1	108.4850	0.000	1	108.4850	0.000	1	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]HH)(CH3)2	C(N[6]C[6,6]C[6]C)(H)3	C(N[6]C[6,6]C[6]C)(H)3	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6,6]C[6]C)(H)3	C(N[6]C[6,6]C[6]C)(H)3	108.2165	1.149	2	108.2165	1.320	2	108.2662	0.465	4	107.5897	1.058	18	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(N[6]C[6,6]C[6]C)(H)3	C(N[6]C[6,6]C[6]C)(H)3	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6,6]C[6]C)(H)3	C(N[6]C[6,6]C[6]C)(H)3	108.4970	0.000	1	108.4970	0.000	1	108.2662	0.465	4	107.5897	1.058	18	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)2	C(N[6]C[6,6]C[6]C)(H)3	C(N[6]C[6,6]C[6]C)(H)3	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6,6]C[6]C)(H)3	C(N[6]C[6,6]C[6]C)(H)3	108.1350	0.000	1	108.1350	0.000	1	108.2662	0.465	4	107.5897	1.058	18	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:B[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2	C(N[6]C[6,6a]B[6]C)(H)3	C(N[6]C[6,6a]B[6]C)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]B[6]C)(H)3	C(N[6]C[6,6a]B[6]C)(H)3	107.0274	0.454	8	107.0274	0.206	8	107.0274	0.206	8	107.5897	1.058	18	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2	C(N[6]C[6,6a]C[6]C)(H)3	C(N[6]C[6,6a]C[6]C)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6]C)(H)3	C(N[6]C[6,6a]C[6]C)(H)3	110.5100	0.000	1	110.5100	0.000	1	107.8883	2.052	6	107.5897	1.058	18	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2	C(N[6]C[6,6a]C[6]C)(H)3	C(N[6]C[6,6a]C[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2{1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6]C)(H)3	C(N[6]C[6,6a]C[6]C)(H)3	106.6035	0.012	2	106.6035	0.000	2	107.8883	2.052	6	107.5897	1.058	18	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2	C(N[6]C[6,6a]C[6]C)(H)3	C(N[6]C[6,6a]C[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2{1|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6]C)(H)3	C(N[6]C[6,6a]C[6]C)(H)3	107.8260	0.000	1	107.8260	0.000	1	107.8883	2.052	6	107.5897	1.058	18	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	C(N[6]C[6,6a]C[6]C)(H)3	C(N[6]C[6,6a]C[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6]C)(H)3	C(N[6]C[6,6a]C[6]C)(H)3	107.8935	0.286	2	107.8935	0.082	2	107.8883	2.052	6	107.5897	1.058	18	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:B[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2{1|B<4>,1|H<1>,4|C<3>}	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	105.8600	0.000	1	105.8600	0.000	1	105.8600	0.000	1	105.8600	0.000	1	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	C(N[6]C[6]N[6]C)(H)3	C(N[6]C[6]N[6]C)(H)3	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{1|Cl<1>,2|C<4>,2|O<2>}	C(N[6]C[6]N[6]C)(H)3	C(N[6]C[6]N[6]C)(H)3	108.3320	1.506	2	108.7805	0.657	8	108.8849	0.567	10	108.9290	0.532	11	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	C(N[6]C[6]N[6]C)(H)3	C(N[6]C[6]N[6]C)(H)3	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{2|C<4>,3|O<2>}	C(N[6]C[6]N[6]C)(H)3	C(N[6]C[6]N[6]C)(H)3	109.2473	0.442	4	108.7805	0.657	8	108.8849	0.567	10	108.9290	0.532	11	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	C(N[6]C[6]N[6]C)(H)3	C(N[6]C[6]N[6]C)(H)3	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{2|Cl<1>,2|C<4>,2|O<2>}	C(N[6]C[6]N[6]C)(H)3	C(N[6]C[6]N[6]C)(H)3	108.2955	0.062	2	108.7805	0.657	8	108.8849	0.567	10	108.9290	0.532	11	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2	C(N[6]C[6]N[6]C)(H)3	C(N[6]C[6]N[6]C)(H)3	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2{1|C<4>,1|H<1>,2|O<2>}	C(N[6]C[6]N[6]C)(H)3	C(N[6]C[6]N[6]C)(H)3	109.4830	0.000	1	109.3025	0.065	2	108.8849	0.567	10	108.9290	0.532	11	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2	C(N[6]C[6]N[6]C)(H)3	C(N[6]C[6]N[6]C)(H)3	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2{1|Cl<1>,1|O<2>,2|C<4>}	C(N[6]C[6]N[6]C)(H)3	C(N[6]C[6]N[6]C)(H)3	109.1220	0.000	1	109.3025	0.065	2	108.8849	0.567	10	108.9290	0.532	11	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	Ga[6]-4:O[6]-2:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](Ga[6]O[6]CC)(O[6]Ga[6])(CH3)2	C(N[6]Ga[6]O[6]C)(H)3	C(N[6]Ga[6]O[6]C)(H)3	N[6](Ga[6]O[6]CC)(O[6]Ga[6])(CH3)2{1|N<4>,2|C<4>}	C(N[6]Ga[6]O[6]C)(H)3	C(N[6]Ga[6]O[6]C)(H)3	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	108.9290	0.532	11	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	N[6]-4:C-3:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3)	C(N[6]C[6]2C)(CCH)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6]2C)(CCH)(H)2	C(N[6]C[6]2C)(H)3	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3)	C(N[6]C[6]2C)(CCHH)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3){1|C<3>,2|C<4>}	C(N[6]C[6]2C)(CCHH)(H)2	C(N[6]C[6]2C)(H)3	107.7660	0.000	1	107.7660	0.000	1	107.7660	0.000	1	107.7660	0.000	1	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)2	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	107.7360	0.465	2	107.7360	0.216	2	107.7360	0.216	2	107.7360	0.216	2	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C(N[6]C[6]2C)(H)3	108.8084	1.954	5	108.2443	4.963	6	108.2443	4.963	6	108.2443	4.963	6	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3){1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C(N[6]C[6]2C)(H)3	105.4240	0.000	1	108.2443	4.963	6	108.2443	4.963	6	108.2443	4.963	6	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C(N[6]C[6]2C)(CH3)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH){1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C(N[6]C[6]2C)(CH3)(H)2	110.6427	0.165	3	110.6427	0.027	3	110.6427	0.027	3	110.6427	0.027	3	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2	C(N[6]C[5,6]C[6]C)(H)3	C(N[6]C[5,6]C[6]C)(H)3	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>,3|H<1>}	C(N[6]C[5,6]C[6]C)(H)3	C(N[6]C[5,6]C[6]C)(H)3	105.6910	0.000	1	105.6910	0.000	1	105.6910	0.000	1	107.7552	1.602	45	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)2	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6,6]HH)2(CH3)2{2|H<1>,3|C<4>}	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	105.3595	0.711	2	105.3595	0.505	2	107.8902	1.524	41	107.7552	1.602	45	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	107.3950	0.107	2	107.3950	0.012	2	107.8902	1.524	41	107.7552	1.602	45	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	107.9400	0.274	2	108.0538	1.282	37	107.8902	1.524	41	107.7552	1.602	45	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	107.8963	0.600	3	108.0538	1.282	37	107.8902	1.524	41	107.7552	1.602	45	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	113.6590	0.000	1	108.0538	1.282	37	107.8902	1.524	41	107.7552	1.602	45	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,4|H<1>}	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	107.9019	0.403	9	108.0538	1.282	37	107.8902	1.524	41	107.7552	1.602	45	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|N<4>,4|H<1>}	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	107.7226	0.683	18	108.0538	1.282	37	107.8902	1.524	41	107.7552	1.602	45	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|O<2>,4|H<1>}	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	108.2470	0.413	2	108.0538	1.282	37	107.8902	1.524	41	107.7552	1.602	45	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{3|C<3>}	C(N[6]C[6]2C)(H)3	C(N[6]C[6]2C)(H)3	109.0720	0.341	2	108.0538	1.282	37	107.8902	1.524	41	107.7552	1.602	45	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[6]-4:Ga[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](Ga[6]N[6]HH)2(CH3)2	C(N[6]Ga[6]2C)(H)3	C(N[6]Ga[6]2C)(H)3	N[6](Ga[6]N[6]HH)2(CH3)2{1|Ga<4>,4|C<4>}	C(N[6]Ga[6]2C)(H)3	C(N[6]Ga[6]2C)(H)3	106.5980	0.496	3	106.5980	0.246	3	106.5980	0.246	3	107.7552	1.602	45	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-2:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CN)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CN)(H)2	C(N[6]C[6]2C)(H)3	109.1280	0.000	1	109.3495	0.098	2	109.3495	0.098	2	109.3495	0.098	2	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-2:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CN)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	C(N[6]C[6]2C)(CN)(H)2	C(N[6]C[6]2C)(H)3	109.5710	0.000	1	109.3495	0.098	2	109.3495	0.098	2	109.3495	0.098	2	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-3:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3)	C(N[6]C[6]2C)(CCH)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	C(N[6]C[6]2C)(CCH)(H)2	C(N[6]C[6]2C)(H)3	108.1460	0.000	1	108.1460	0.000	1	109.6448	1.327	4	109.6448	1.327	4	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-3:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(COO)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	C(N[6]C[6]2C)(COO)(H)2	C(N[6]C[6]2C)(H)3	110.1443	0.702	3	110.1443	0.492	3	109.6448	1.327	4	109.6448	1.327	4	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)2	C(N[6]C[6]2C)(CCH)(H)2	C(N[6]C[6]2C)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)2{1|O<2>,4|H<1>}	C(N[6]C[6]2C)(CCH)(H)2	C(N[6]C[6]2C)(CH3)(H)2	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-3:C-4:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCCH)(CCHH)	C(N[6]C[6]2C)(CN[6]O)(CH3)(H)	C(N[6]C[6]2C)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCCH)(CCHH){1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CN[6]O)(CH3)(H)	C(N[6]C[6]2C)(CCH)(H)2	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	N[6]-4:C[3]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3)	C(N[6]C[6,6]C[6]C)(C[3]C[3]2H)(H)2	C(N[6]C[6,6]C[6]C)(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]C)(C[3]C[3]2H)(H)2	C(N[6]C[6,6]C[6]C)(H)3	106.2855	1.135	2	106.2855	1.288	2	106.2855	1.288	2	109.1441	1.905	23	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CCHH)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CCHH)(H)2	C(N[6]C[6]2C)(H)3	109.6574	0.646	8	109.6721	0.341	10	109.5028	1.316	17	109.1441	1.905	23	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CCHH)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	C(N[6]C[6]2C)(CCHH)(H)2	C(N[6]C[6]2C)(H)3	109.7310	0.372	2	109.6721	0.341	10	109.5028	1.316	17	109.1441	1.905	23	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CC[5a]HH)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2C)(CC[5a]HH)(H)2	C(N[6]C[6]2C)(H)3	105.7290	0.000	1	105.7290	0.000	1	109.5028	1.316	17	109.1441	1.905	23	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CFHH)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CFHH)(H)2	C(N[6]C[6]2C)(H)3	109.6230	0.000	1	109.6230	0.000	1	109.5028	1.316	17	109.1441	1.905	23	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CH3)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	C(N[6]C[6]2C)(CH3)(H)2	C(N[6]C[6]2C)(H)3	109.3770	0.000	1	109.3770	0.000	1	109.5028	1.316	17	109.1441	1.905	23	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CHHO)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|N<1>,1|O<2>,2|H<1>}	C(N[6]C[6]2C)(CHHO)(H)2	C(N[6]C[6]2C)(H)3	111.1980	0.000	1	110.1683	1.046	3	109.5028	1.316	17	109.1441	1.905	23	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CHHO)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	C(N[6]C[6]2C)(CHHO)(H)2	C(N[6]C[6]2C)(H)3	109.6535	0.708	2	110.1683	1.046	3	109.5028	1.316	17	109.1441	1.905	23	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CN[5a]HH)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CN[5a]HH)(H)2	C(N[6]C[6]2C)(H)3	109.5930	0.000	1	109.5930	0.000	1	109.5028	1.316	17	109.1441	1.905	23	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:Si-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CSiHH)(CH3)	C(N[6]C[6]2C)(SiC[6a]GeC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CSiHH)(CH3){1|C<4>,4|H<1>}	C(N[6]C[6]2C)(SiC[6a]GeC)(H)2	C(N[6]C[6]2C)(H)3	109.0490	0.578	4	109.0490	0.334	4	109.0490	0.334	4	109.1441	1.905	23	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)2	C(N[6]C[6]2C)(CCo2C)(H)2	C(N[6]C[6]2C)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCHH)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CCo2C)(H)2	C(N[6]C[6]2C)(CCH)(H)2	111.1040	0.730	2	111.1040	0.533	2	111.1040	0.533	2	111.1040	0.533	2	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)2	C(N[6]C[6]2C)(CCo2C)(H)2	C(N[6]C[6]2C)(CCo2C)(H)2	N[6](C[6]C[6]HH)2(CCHH)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CCo2C)(H)2	C(N[6]C[6]2C)(CCo2C)(H)2	110.7940	0.000	1	110.7940	0.000	1	111.7290	1.748	2	112.7270	3.862	3	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)2	C(N[6]C[6]2C)(CN[5]HH)(H)2	C(N[6]C[6]2C)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)2{1|O<2>,4|H<1>}	C(N[6]C[6]2C)(CN[5]HH)(H)2	C(N[6]C[6]2C)(CH3)(H)2	112.6640	0.000	1	112.6640	0.000	1	111.7290	1.748	2	112.7270	3.862	3	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:In[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(CCHH)2	C(N[6]In[6]C[6]C)(CHHN)(H)2	C(N[6]In[6]C[6]C)(CHHN)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(CCHH)2{2|C<3>}	C(N[6]In[6]C[6]C)(CHHN)(H)2	C(N[6]In[6]C[6]C)(CHHN)(H)2	114.7230	0.000	1	114.7230	0.000	1	114.7230	0.000	1	112.7270	3.862	3	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6]-4:B[6]-4:C-4:C-4:	N[6]-4:C-4:C-4:H-1:	N[6]-4:C-4:C-4:H-1:	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2	C(N[6]B[6]C[6]C)(CH3)2(H)	C(N[6]B[6]C[6]C)(CH3)2(H)	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2{3|C<3>}	C(N[6]B[6]C[6]C)(CH3)2(H)	C(N[6]B[6]C[6]C)(CH3)2(H)	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	115.1273	15.553	3	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C-4:C-4:H-1:	N[6]-4:C-4:C-4:H-1:	N[6](C[6]C[6]HH)2(CCCH)2	C(N[6]C[6]2C)(CH3)2(H)	C(N[6]C[6]2C)(CH3)2(H)	N[6](C[6]C[6]HH)2(CCCH)2{1|N<4>,4|H<1>}	C(N[6]C[6]2C)(CH3)2(H)	C(N[6]C[6]2C)(CH3)2(H)	117.4030	0.185	2	117.4030	0.034	2	117.4030	0.034	2	115.1273	15.553	3	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[4,6]-5:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](Ga[4,6]N[4,6]N[4]Cl2)(C[6]C[6]HH)(CH3)2	C(N[6]Ga[4,6]C[6]C)(H)3	C(N[6]Ga[4,6]C[6]C)(H)3	N[6](Ga[4,6]N[4,6]N[4]Cl2)(C[6]C[6]HH)(CH3)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C(N[6]Ga[4,6]C[6]C)(H)3	C(N[6]Ga[4,6]C[6]C)(H)3	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	5:4:4:4:	4:3:1:1:	4:3:1:1:	Ga[3,3,5,5,7x6]-5:C[6]-4:C-4:C-4:	N[6]-4:C[6a]-3:H-1:H-1:	N[6]-4:C[6a]-3:H-1:H-1:	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2	C(N[6]Ga[3,3,5,5,7x6]C[6]C)(C[6a]C[6a]2)(H)2	C(N[6]Ga[3,3,5,5,7x6]C[6]C)(C[6a]C[6a]2)(H)2	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2{2|C<5>,4|B<6>,5|H<1>}	C(N[6]Ga[3,3,5,5,7x6]C[6]C)(C[6a]C[6a]2)(H)2	C(N[6]Ga[3,3,5,5,7x6]C[6]C)(C[6a]C[6a]2)(H)2	109.0070	0.000	1	109.0070	0.000	1	109.0070	0.000	1	109.0070	0.000	1	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	5:4:4:4:	4:4:1:1:	4:1:1:1:	In[4,6]-5:C[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](In[4,6]O[4,6,6]O[4]Cl2)(C[6]C[6,6a]HH)(CCHH)(CH3)	C(N[6]In[4,6]C[6]C)(CHHN)(H)2	C(N[6]In[4,6]C[6]C)(H)3	N[6](In[4,6]O[4,6,6]O[4]Cl2)(C[6]C[6,6a]HH)(CCHH)(CH3){1|In<5>,2|C<3>}	C(N[6]In[4,6]C[6]C)(CHHN)(H)2	C(N[6]In[4,6]C[6]C)(H)3	108.7540	0.148	2	108.7540	0.022	2	108.7540	0.022	2	108.7540	0.022	2	108.6051	3.761	133	108.6051	3.761	133
854	490	490	0:SP3_SP3_SP3	N[6]	C	C	6:4:4:4:	4:1:1:1:	4:1:1:1:	Nb[6,6]-6:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]HN)(CH3)2	C(N[6]Nb[6,6]C[6]C)(H)3	C(N[6]Nb[6,6]C[6]C)(H)3	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]HN)(CH3)2{5|C<3>}	C(N[6]Nb[6,6]C[6]C)(H)3	C(N[6]Nb[6,6]C[6]C)(H)3	107.0130	0.000	1	107.0130	0.000	1	107.0130	0.000	1	107.0130	0.000	1	108.6051	3.761	133	108.6051	3.761	133
854	490	622	0:SP3_SP3_SP3	N[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:H-1:H-1:H-1:	N[3x6]-4:Ga[6,6]-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(H)3	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(H)3	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	104.7583	0.300	3	104.7583	0.090	3	104.7583	0.090	3	104.7583	0.090	3	105.6082	1.174	6	106.0763	3.037	9
854	490	622	0:SP3_SP3_SP3	N[3x6]	C	O[6,6]	4:4:2:4:	4:4:4:4:	4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:C-4:C-4:C-4:	N[3x6]-4:Ga[6,6]-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(CH3)3	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(CH3)3	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	106.4580	0.823	3	106.4580	0.678	3	106.4580	0.678	3	106.4580	0.678	3	105.6082	1.174	6	106.0763	3.037	9
854	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	B[6]-4:O[6]-2:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	B[6]-4:N[6]-4:	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H)	C(N[6]B[6]O[6]H)(H)3	O[6](B[6]C[6a]2N[6])(N[6]B[6]CH)	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H){1|N<4>,6|C<3>}	C(N[6]B[6]O[6]H)(H)3	O[6](B[6]C[6a]2N[6])(N[6]B[6]CH){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	106.3810	0.000	1	106.3810	0.000	1	106.3810	0.000	1	106.3810	0.000	1	107.0127	7.240	3	106.0763	3.037	9
854	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	Ga[6]-4:O[6]-2:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	Ga[6]-4:N[6]-4:	N[6](Ga[6]O[6]CC)(O[6]Ga[6])(CH3)2	C(N[6]Ga[6]O[6]C)(H)3	O[6](Ga[6]N[6]CC)(N[6]Ga[6]CC)	N[6](Ga[6]O[6]CC)(O[6]Ga[6])(CH3)2{1|N<4>,2|C<4>}	C(N[6]Ga[6]O[6]C)(H)3	O[6](Ga[6]N[6]CC)(N[6]Ga[6]CC){1|O<2>,4|C<4>}	107.3285	3.726	2	107.3285	13.881	2	107.3285	13.881	2	107.3285	13.881	2	107.0127	7.240	3	106.0763	3.037	9
854	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	C[6,6a,6a]-3:N[6]-4:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2	C(N[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C(N[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H){1|N<3>,5|C<3>}	108.4950	0.503	2	108.4950	0.253	2	108.5162	0.610	4	108.5162	0.610	4	110.4224	2.837	34	110.4224	2.837	34
854	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	C[6,6a,6a]-3:N[6]-4:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2	C(N[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C(N[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	108.5375	1.255	2	108.5375	1.575	2	108.5162	0.610	4	108.5162	0.610	4	110.4224	2.837	34	110.4224	2.837	34
854	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:B[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-4:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2	C(N[6]C[6,6a]B[6]C)(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]CC)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]B[6]C)(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]CC){1|N<4>,3|C<3>,3|H<1>}	110.2460	1.498	16	110.2460	2.243	16	110.2460	2.243	16	110.7164	2.546	28	110.4224	2.837	34	110.4224	2.837	34
854	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-4:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2	C(N[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]CC)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]CC){1|N<3>,3|C<3>,3|H<1>}	110.7725	1.330	2	110.7725	1.769	2	110.7725	1.769	2	110.7164	2.546	28	110.4224	2.837	34	110.4224	2.837	34
854	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2	C(N[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2{1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){3|H<1>,4|C<3>}	112.3125	0.220	4	112.3125	0.049	4	111.4579	2.697	10	110.7164	2.546	28	110.4224	2.837	34	110.4224	2.837	34
854	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2	C(N[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2{1|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){3|H<1>,4|C<3>}	110.0110	2.442	2	110.0110	5.965	2	111.4579	2.697	10	110.7164	2.546	28	110.4224	2.837	34	110.4224	2.837	34
854	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	C(N[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){2|C<4>,2|H<1>,3|C<3>}	111.0100	1.727	2	111.3268	3.661	4	111.4579	2.697	10	110.7164	2.546	28	110.4224	2.837	34	110.4224	2.837	34
854	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	C(N[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){3|C<3>,4|H<1>}	111.6435	2.757	2	111.3268	3.661	4	111.4579	2.697	10	110.7164	2.546	28	110.4224	2.837	34	110.4224	2.837	34
854	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:B[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]B[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2{1|B<4>,1|H<1>,4|C<3>}	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]B[6]CC){1|H<2>,2|C<3>,5|H<1>}	110.1175	2.435	2	110.1175	5.927	2	110.1175	5.927	2	110.1175	5.927	2	110.4224	2.837	34	110.4224	2.837	34
854	490	762	0:SP3_SP2_SP3	N[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	N[3x6]-4:H-1:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:	N[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)2(CH3)	C(N[3x6]C[6,6]3)(H)3	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)	N[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)2(CH3){1|N<4>,6|H<1>}	C(N[3x6]C[6,6]3)(H)3	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H){3|C<4>,3|H<1>}	109.8195	0.483	2	109.8195	0.233	2	109.8195	0.233	2	109.8195	0.233	2	110.8373	3.225	3	110.3893	8.700	19
854	490	762	0:SP3_SP2_SP3	N[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	N[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:N[3x6]-4:C-3:	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(CH3)	C(N[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(CHH)	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(CH3){6|C<4>}	C(N[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(CHH){2|C<4>,8|H<1>}	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	110.8373	3.225	3	110.3893	8.700	19
854	490	762	0:SP3_SP2_SP3	N[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6,6]-3:N[6]-4:N[6]-2:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)2	C(N[6]C[6,6]C[6]C)(H)3	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(N[6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6,6]C[6]C)(H)3	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(N[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	108.8195	0.337	2	108.8195	0.114	2	108.8195	0.114	2	108.8195	0.114	2	109.0814	1.905	8	110.3893	8.700	19
854	490	762	0:SP3_SP2_SP3	N[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[3x6]-3:N[6]-4:C[6]-3:	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]HH)(CH3)2	C(N[6]C[6,6]C[6]C)(H)3	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H)	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6,6]C[6]C)(H)3	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|N<3>,1|N<4>,2|C<4>,3|H<1>}	109.2765	1.781	4	109.2765	3.174	4	109.2765	3.174	4	109.1687	2.608	6	109.0814	1.905	8	110.3893	8.700	19
854	490	762	0:SP3_SP2_SP3	N[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6,6]-3:N[6]-4:C[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(N[6]C[6,6]C[6]C)(H)3	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(C[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6,6]C[6]C)(H)3	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	108.9530	1.838	2	108.9530	3.380	2	108.9530	3.380	2	109.1687	2.608	6	109.0814	1.905	8	110.3893	8.700	19
854	490	762	0:SP3_SP2_SP3	N[6]	C	C[6]	3:4:4:1:	4:4:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	C[6,6]-4:N[6]-4:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	109.9600	0.475	2	109.9600	0.226	2	109.9600	0.226	2	109.9600	0.226	2	111.5293	16.020	8	110.3893	8.700	19
854	490	762	0:SP3_SP2_SP3	N[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(N[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<4>,4|H<1>}	116.4500	0.000	1	116.4500	0.000	1	117.3485	1.615	2	117.3485	1.615	2	111.5293	16.020	8	110.3893	8.700	19
854	490	762	0:SP3_SP2_SP3	N[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(N[6]C[6]2H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|N<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H){1|C<3>,1|C<4>,3|H<1>}	118.2470	0.000	1	118.2470	0.000	1	117.3485	1.615	2	117.3485	1.615	2	111.5293	16.020	8	110.3893	8.700	19
854	490	762	0:SP3_SP2_SP3	N[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:C[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3)	C(N[6]C[6]2C)(H)3	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3){1|C<3>,2|C<4>}	C(N[6]C[6]2C)(H)3	C[6](N[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	107.1610	0.000	1	107.1610	0.000	1	107.1610	0.000	1	107.1610	0.000	1	111.5293	16.020	8	110.3893	8.700	19
854	490	762	0:SP3_SP2_SP3	N[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3)	C(N[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	111.7960	0.000	1	111.7960	0.000	1	111.7960	0.000	1	111.7960	0.000	1	111.5293	16.020	8	110.3893	8.700	19
854	490	762	0:SP3_SP2_SP3	N[6]	C	C[6]	4:3:4:4:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	N[6]-4:C-3:H-1:H-1:	C[6,6]-4:N[6]-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3)	C(N[6]C[6]2C)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6]2C)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	107.2300	0.000	1	107.2300	0.000	1	107.2300	0.000	1	107.2300	0.000	1	111.5293	16.020	8	110.3893	8.700	19
854	490	762	0:SP3_SP2_SP3	N[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3)	C(N[6]C[6]2C)(CCHH)(H)2	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3){1|C<3>,2|C<4>}	C(N[6]C[6]2C)(CCHH)(H)2	C[6](N[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	111.4300	0.000	1	111.4300	0.000	1	111.4300	0.000	1	111.4300	0.000	1	111.5293	16.020	8	110.3893	8.700	19
854	490	786	0:SP3_SP3_SP3	N[6]	C	B[5,6]	4:4:4:1:	4:3:1:1:	4:4:2:2:	B[5,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-4:O[5]-2:O[5]-2:	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H)	C(N[6]B[5,6]C[6]H)(C[6a]C[6a]2)(H)2	B[5,6](C[6]C[6]HH)(N[6]C[6]CH)(O[5]C[5])2	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	C(N[6]B[5,6]C[6]H)(C[6a]C[6a]2)(H)2	B[5,6](C[6]C[6]HH)(N[6]C[6]CH)(O[5]C[5])2{1|C<4>,8|H<1>}	113.1440	0.000	1	113.1440	0.000	1	113.1440	0.000	1	113.1440	0.000	1	113.1440	0.000	1	113.1440	0.000	1
854	490	863	0:SP3_SP2_SP3	N[6,6]	C	O	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:O-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O)	C(N[6,6]C[3x6]C[6,6]O)(CC[5a]HH)(H)2	O(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O){2|C<3>,2|C<4>,3|H<1>}	C(N[6,6]C[3x6]C[6,6]O)(CC[5a]HH)(H)2	O(N[6,6]C[3x6]C[6,6]C)	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	108.8214	1.892	8
854	490	863	0:SP3_SP2_SP3	N[6]	C	O	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:O-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O)	C(N[6]C[6,6]C[6]O)(H)3	O(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]O)(H)3	O(N[6]C[6,6]C[6]C)	106.1980	0.000	1	106.1980	0.000	1	106.1980	0.000	1	108.4323	3.787	3	109.0621	1.666	7	108.8214	1.892	8
854	490	863	0:SP3_SP2_SP3	N[6]	C	O	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(O)	C(N[6]C[6]2O)(H)3	O(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(O){1|O<2>,4|H<1>}	C(N[6]C[6]2O)(H)3	O(N[6]C[6]2C)	109.5495	0.293	2	109.5495	0.086	2	109.5495	0.086	2	108.4323	3.787	3	109.0621	1.666	7	108.8214	1.892	8
854	490	863	0:SP3_SP2_SP3	N[6]	C	O	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(O)	C(N[6]C[6]2O)(CCHO)(H)2	O(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(O){1|N<4>,4|H<1>}	C(N[6]C[6]2O)(CCHO)(H)2	O(N[6]C[6]2C)	109.4350	0.000	1	109.4350	0.000	1	109.5345	0.113	4	109.5345	0.113	4	109.0621	1.666	7	108.8214	1.892	8
854	490	863	0:SP3_SP2_SP3	N[6]	C	O	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(O)	C(N[6]C[6]2O)(CC[6a]HH)(H)2	O(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(O){1|C<4>,4|H<1>}	C(N[6]C[6]2O)(CC[6a]HH)(H)2	O(N[6]C[6]2C)	109.4110	0.000	1	109.4110	0.000	1	109.5345	0.113	4	109.5345	0.113	4	109.0621	1.666	7	108.8214	1.892	8
854	490	863	0:SP3_SP2_SP3	N[6]	C	O	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(O)	C(N[6]C[6]2O)(CHHO)(H)2	O(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(O){1|C<4>,4|H<1>}	C(N[6]C[6]2O)(CHHO)(H)2	O(N[6]C[6]2C)	110.0260	0.000	1	109.6460	0.289	2	109.5345	0.113	4	109.5345	0.113	4	109.0621	1.666	7	108.8214	1.892	8
854	490	863	0:SP3_SP2_SP3	N[6]	C	O	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(O)	C(N[6]C[6]2O)(CHHO)(H)2	O(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(O){1|N<3>,4|H<1>}	C(N[6]C[6]2O)(CHHO)(H)2	O(N[6]C[6]2C)	109.2660	0.000	1	109.6460	0.289	2	109.5345	0.113	4	109.5345	0.113	4	109.0621	1.666	7	108.8214	1.892	8
854	490	874	0:SP3_SP3_SP3	N[6,6]	C	B[6,6]	4:4:4:4:	4:3:1:1:	4:2:2:2:	C[6]-4:C[6]-4:B[6,6]-4:C-4:	N[6,6]-4:C[6a]-3:H-1:H-1:	N[6,6]-4:O[6]-2:O[6]-2:O-2:	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH)	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]2)(H)2	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC)	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH){4|C<3>}	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]2)(H)2	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC){4|C<3>,4|H<1>}	109.9460	0.000	1	109.9460	0.000	1	109.9460	0.000	1	109.9460	0.000	1	110.5135	0.644	2	110.9170	27.221	28
854	490	874	0:SP3_SP3_SP3	N[6,6]	C	B[6,6]	4:4:4:4:	4:3:1:1:	4:3:2:2:	B[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6a]-3:H-1:H-1:	N[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH)	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]N[6a])(H)2	B[6,6](N[6,6]C[6]2C)(C[6a]C[6a]2)(O[6]C[6,6a])2	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH){6|C<3>}	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]N[6a])(H)2	B[6,6](N[6,6]C[6]2C)(C[6a]C[6a]2)(O[6]C[6,6a])2{6|C<3>,6|H<1>}	111.0810	0.000	1	111.0810	0.000	1	111.0810	0.000	1	111.0810	0.000	1	110.5135	0.644	2	110.9170	27.221	28
854	490	874	0:SP3_SP3_SP3	N[6]	C	B[6,6]	4:4:4:1:	4:3:1:1:	4:4:2:2:	B[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-4:O[6]-2:O[6]-2:	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H)	C(N[6]B[6,6]C[6]H)(C[6a]C[6a]2)(H)2	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	C(N[6]B[6,6]C[6]H)(C[6a]C[6a]2)(H)2	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2{2|C<4>,8|H<1>}	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	110.9170	27.221	28
854	490	874	0:SP3_SP3_SP3	N[6]	C	B[6]	3:4:4:4:	4:1:1:1:	4:4:1:1:	C[6,6a]-3:B[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2	C(N[6]C[6,6a]B[6]C)(H)3	B[6](N[6]C[6,6a]CC)2(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]B[6]C)(H)3	B[6](N[6]C[6,6a]CC)2(H)2{3|C<3>}	109.0376	5.356	16	109.0376	28.683	16	109.0376	28.683	16	109.0376	28.683	16	110.9387	30.580	25	110.9170	27.221	28
854	490	874	0:SP3_SP3_SP3	N[6]	C	B[6]	3:4:4:4:	4:4:1:1:	4:3:2:1:	C[6,6a]-3:B[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:C[6a]-3:H[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2{1|B<4>,1|H<1>,4|C<3>}	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H){1|H<1>,1|N<3>,4|C<3>}	110.4300	4.899	2	110.4300	23.999	2	110.4300	23.999	2	110.4300	23.999	2	110.9387	30.580	25	110.9170	27.221	28
854	490	874	0:SP3_SP3_SP3	N[6]	C	B[6]	4:2:4:1:	4:1:1:1:	3:3:4:2:	B[6]-4:O[6]-2:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-4:O[6]-2:	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H)	C(N[6]B[6]O[6]H)(H)3	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6])	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H){1|N<4>,6|C<3>}	C(N[6]B[6]O[6]H)(H)3	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6]){1|B<4>,1|C<4>,4|C<3>,5|H<1>}	122.0150	0.000	1	122.0150	0.000	1	122.0150	0.000	1	122.0150	0.000	1	110.9387	30.580	25	110.9170	27.221	28
854	490	874	0:SP3_SP3_SP3	N[6]	C	B[6]	4:4:4:1:	4:3:1:1:	4:4:2:2:	B[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-4:O-2:O-2:	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H)	C(N[6]B[6]C[6]H)(C[6a]C[6a]2)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,4|H<1>}	C(N[6]B[6]C[6]H)(C[6a]C[6a]2)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2{1|C<4>,4|H<1>}	112.9690	0.658	2	112.9690	0.432	2	112.9690	0.432	2	112.9690	0.432	2	110.9387	30.580	25	110.9170	27.221	28
854	490	874	0:SP3_SP3_SP3	N[6]	C	B[6]	4:4:4:1:	4:4:4:4:	3:4:1:1:	B[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:C-4:C-4:	C[5,6]-3:N[6]-4:H-1:H-1:	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C(N[6]B[6]C[6]H)(CH3)3	B[6](C[5,6]N[5,6]N[5])(N[6]C[6]CH)(H)2	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){2|H<1>,2|N<3>}	C(N[6]B[6]C[6]H)(CH3)3	B[6](C[5,6]N[5,6]N[5])(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1	110.9387	30.580	25	110.9170	27.221	28
854	490	874	0:SP3_SP3_SP3	N[6]	C	B[6]	4:4:4:1:	4:4:4:4:	4:4:1:1:	B[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H)	C(N[6]B[6]C[6]H)(CH3)3	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	C(N[6]B[6]C[6]H)(CH3)3	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	117.7040	0.000	1	117.7040	0.000	1	117.7040	0.000	1	117.7040	0.000	1	110.9387	30.580	25	110.9170	27.221	28
854	490	874	0:SP3_SP3_SP3	N[6]	C	B[6]	4:4:4:4:	4:4:4:1:	3:4:1:1:	C[6]-4:B[6]-4:C-4:C-4:	N[6]-4:C-4:C-4:H-1:	N[6]-3:N[6]-4:F-1:F-1:	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2	C(N[6]B[6]C[6]C)(CH3)2(H)	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2{3|C<3>}	C(N[6]B[6]C[6]C)(CH3)2(H)	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2{2|H<1>,4|C<3>}	112.7060	1.407	2	112.7060	1.980	2	112.7060	1.980	2	112.7060	1.980	2	110.9387	30.580	25	110.9170	27.221	28
854	490	893	0:SP3_SP3_SP3	N[6]	C	O	4:4:4:2:	4:1:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	N[6]-4:H-1:H-1:H-1:	N[6]-4:P-4:	N[6](C[6]C[6]HH)2(CH3)(OP)	C(N[6]C[6]2O)(H)3	O(N[6]C[6]2C)(PO3)	N[6](C[6]C[6]HH)2(CH3)(OP){1|O<2>,4|H<1>}	C(N[6]C[6]2O)(H)3	O(N[6]C[6]2C)(PO3)	111.2700	0.000	1	111.2700	0.000	1	111.2700	0.000	1	109.6950	4.961	2	109.6950	4.961	2	109.6950	4.961	2
854	490	893	0:SP3_SP3_SP3	N[6]	C	O	4:4:4:2:	4:1:1:1:	4:4:	Ga[6]-4:C[6]-4:C-4:O-2:	N[6]-4:H-1:H-1:H-1:	N[6]-4:Ga-4:	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa)	C(N[6]Ga[6]C[6]O)(H)3	O(N[6]Ga[6]C[6]C)(GaCCO)	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa){1|N<3>,2|H<1>}	C(N[6]Ga[6]C[6]O)(H)3	O(N[6]Ga[6]C[6]C)(GaCCO)	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	109.6950	4.961	2	109.6950	4.961	2	109.6950	4.961	2
854	490	914	0:SP3_SP2_SP3	N[6]	C	N[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6]-4:N[6]-2:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:C[6]-3:	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	C(N[6]C[6]N[6]C)(H)3	N[6](N[6]C[6]CC)(C[6]O[6]C)	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{1|Cl<1>,2|C<4>,2|O<2>}	C(N[6]C[6]N[6]C)(H)3	N[6](N[6]C[6]CC)(C[6]O[6]C){1|Si<5>,2|H<1>}	106.8440	1.698	4	106.4541	3.316	16	106.5295	3.278	20	106.5295	3.278	20	106.5295	3.278	20	106.5295	3.278	20
854	490	914	0:SP3_SP2_SP3	N[6]	C	N[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6]-4:N[6]-2:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:C[6]-3:	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	C(N[6]C[6]N[6]C)(H)3	N[6](N[6]C[6]CC)(C[6]O[6]C)	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{2|C<4>,3|O<2>}	C(N[6]C[6]N[6]C)(H)3	N[6](N[6]C[6]CC)(C[6]O[6]C){1|Si<5>,2|H<1>}	106.2094	1.956	8	106.4541	3.316	16	106.5295	3.278	20	106.5295	3.278	20	106.5295	3.278	20	106.5295	3.278	20
854	490	914	0:SP3_SP2_SP3	N[6]	C	N[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6]-4:N[6]-2:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:C[6]-3:	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	C(N[6]C[6]N[6]C)(H)3	N[6](N[6]C[6]CC)(C[6]O[6]C)	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{2|Cl<1>,2|C<4>,2|O<2>}	C(N[6]C[6]N[6]C)(H)3	N[6](N[6]C[6]CC)(C[6]O[6]C){1|Si<6>,2|H<1>}	106.5535	2.096	4	106.4541	3.316	16	106.5295	3.278	20	106.5295	3.278	20	106.5295	3.278	20	106.5295	3.278	20
854	490	914	0:SP3_SP2_SP3	N[6]	C	N[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6]-4:N[6]-2:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:C[6]-3:	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2	C(N[6]C[6]N[6]C)(H)3	N[6](N[6]C[6]CC)(C[6]O[6]C)	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2{1|Cl<1>,1|O<2>,2|C<4>}	C(N[6]C[6]N[6]C)(H)3	N[6](N[6]C[6]CC)(C[6]O[6]C){1|Si<4>,2|H<1>}	107.0010	2.336	2	107.0010	5.458	2	106.5295	3.278	20	106.5295	3.278	20	106.5295	3.278	20	106.5295	3.278	20
854	490	914	0:SP3_SP2_SP3	N[6]	C	N[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6]-4:N[6]-2:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:C[6]-3:	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2	C(N[6]C[6]N[6]C)(H)3	N[6](N[6]C[6]CC)(C[6]O[6]H)	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2{1|C<4>,1|H<1>,2|O<2>}	C(N[6]C[6]N[6]C)(H)3	N[6](N[6]C[6]CC)(C[6]O[6]H){1|Si<4>,2|H<1>}	106.6615	2.553	2	106.6615	6.520	2	106.5295	3.278	20	106.5295	3.278	20	106.5295	3.278	20	106.5295	3.278	20
854	490	930	0:SP3_SP2_SP3	N[6]	C	C	4:4:3:4:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:C-4:	N[6]-4:C-3:H-1:H-1:	C[6]-3:N[6]-4:H-1:	N[6](C[6]C[6]HH)2(CC[6]H)(CCHH)	C(N[6]C[6]2C)(CCC)(H)2	C(C[6]C[6]O[6])(N[6]C[6]2C)(H)	N[6](C[6]C[6]HH)2(CC[6]H)(CCHH){1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CCC)(H)2	C(C[6]C[6]O[6])(N[6]C[6]2C)(H)	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1
854	490	941	0:SP3_SP2_SP3	N[6]	C	N	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C[6]-4:C-4:N-2:	N[6]-4:H-1:H-1:H-1:	N[6]-4:C-3:	N[6](C[6]C[6]HH)2(CH3)(NC)	C(N[6]C[6]2N)(H)3	N(N[6]C[6]2C)(CC[6a]O)	N[6](C[6]C[6]HH)2(CH3)(NC){1|N<3>,4|H<1>}	C(N[6]C[6]2N)(H)3	N(N[6]C[6]2C)(CC[6a]O)	112.3670	0.000	1	112.3670	0.000	1	112.3670	0.000	1	112.3670	0.000	1	112.8307	0.281	3	112.8307	0.281	3
854	490	941	0:SP3_SP2_SP3	N[6]	C	N	4:4:4:2:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:C-4:N-2:	N[6]-4:C-3:H-1:H-1:	N[6]-4:S-4:	N[6](C[6]C[6]HH)2(CCHH)(NS)	C(N[6]C[6]2N)(CCH)(H)2	N(N[6]C[6]2C)(SC[6a]OO)	N[6](C[6]C[6]HH)2(CCHH)(NS){1|O<2>,4|H<1>}	C(N[6]C[6]2N)(CCH)(H)2	N(N[6]C[6]2C)(SC[6a]OO)	113.0625	0.490	2	113.0625	0.240	2	113.0625	0.240	2	113.0625	0.240	2	112.8307	0.281	3	112.8307	0.281	3
854	490	943	0:SP3_SP-NON_SP3	N[3x6]	C	Ga[6,6]	4:4:2:4:	4:1:1:1:	4:2:4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:H-1:H-1:H-1:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(H)3	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(H)3	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	113.7180	0.279	2	113.7180	0.078	2	113.4943	0.189	3	113.4943	0.189	3	116.5295	11.477	6	110.7383	15.381	45
854	490	943	0:SP3_SP-NON_SP3	N[3x6]	C	Ga[6,6]	4:4:2:4:	4:1:1:1:	4:2:4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:H-1:H-1:H-1:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(H)3	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(H)3	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2{1|Ga<4>,2|C<4>,2|H<1>}	113.0470	0.000	1	113.0470	0.000	1	113.4943	0.189	3	113.4943	0.189	3	116.5295	11.477	6	110.7383	15.381	45
854	490	943	0:SP3_SP-NON_SP3	N[3x6]	C	Ga[6,6]	4:4:2:4:	4:4:4:4:	4:2:4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:C-4:C-4:C-4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(CH3)3	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(CH3)3	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	119.5965	1.315	2	119.5965	1.728	2	119.5647	0.867	3	119.5647	0.867	3	116.5295	11.477	6	110.7383	15.381	45
854	490	943	0:SP3_SP-NON_SP3	N[3x6]	C	Ga[6,6]	4:4:2:4:	4:4:4:4:	4:2:4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:C-4:C-4:C-4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(CH3)3	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(CH3)3	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2{1|Ga<4>,2|C<4>,2|H<1>}	119.5010	0.000	1	119.5010	0.000	1	119.5647	0.867	3	119.5647	0.867	3	116.5295	11.477	6	110.7383	15.381	45
854	490	943	0:SP3_SP-NON_SP3	N[5x6]	C	Ga[5x6]	4:4:4:4:	4:1:1:1:	4:4:3:1:	Ga[5x6]-4:Ga[6,6]-4:Ga[6x6]-4:C-4:	N[5x6]-4:H-1:H-1:H-1:	N[5x6]-4:N[6x6]-4:N[6,6]-3:H-1:	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3)	C(N[5x6]Ga[5x6]Ga[6,6]Ga[6x6])(H)3	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H)	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3){4|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	C(N[5x6]Ga[5x6]Ga[6,6]Ga[6x6])(H)3	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H){2|N<3>,2|N<4>,7|H<1>}	112.4803	0.906	3	112.4803	0.820	3	112.4803	0.820	3	112.4803	0.820	3	112.4803	0.820	3	110.7383	15.381	45
854	490	943	0:SP3_SP-NON_SP3	N[5x6]	C	Ga[6,6]	4:4:4:4:	4:1:1:1:	4:3:1:1:	Ga[5x6]-4:Ga[6,6]-4:Ga[6x6]-4:C-4:	N[5x6]-4:H-1:H-1:H-1:	N[5x6]-4:N[6,6]-3:H-1:H-1:	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3)	C(N[5x6]Ga[5x6]Ga[6,6]Ga[6x6])(H)3	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3){4|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	C(N[5x6]Ga[5x6]Ga[6,6]Ga[6x6])(H)3	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2{1|N<3>,3|H<1>,3|N<4>}	104.7073	1.293	3	104.7073	1.671	3	104.7073	1.671	3	104.7073	1.671	3	104.7073	1.671	3	110.7383	15.381	45
854	490	943	0:SP3_SP-NON_SP3	N[5x6]	C	Ga[6x6]	4:4:4:4:	4:1:1:1:	4:4:4:1:	Ga[5x6]-4:Ga[6,6]-4:Ga[6x6]-4:C-4:	N[5x6]-4:H-1:H-1:H-1:	N[5x6]-4:N[5x6]-4:N[5x6]-4:H-1:	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3)	C(N[5x6]Ga[5x6]Ga[6,6]Ga[6x6])(H)3	Ga[6x6](N[5x6]Ga[5x6]Ga[6,6]C)3(H)	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3){4|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	C(N[5x6]Ga[5x6]Ga[6,6]Ga[6x6])(H)3	Ga[6x6](N[5x6]Ga[5x6]Ga[6,6]C)3(H){1|N<4>,3|N<3>,9|H<1>}	109.4720	0.682	7	109.4720	0.465	7	109.4720	0.465	7	109.4720	0.465	7	109.4720	0.465	7	110.7383	15.381	45
854	490	943	0:SP3_SP-NON_SP3	N[6,6]	C	Ga[6]	4:4:4:4:	4:1:1:1:	4:4:4:4:	C[6,6]-4:Ga[6]-4:C[6]-4:C-4:	N[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6,6]-4:C-4:C-4:	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3)	C(N[6,6]C[6,6]Ga[6]C[6])(H)3	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3){1|H<1>,1|N<3>,1|N<4>,5|C<4>}	C(N[6,6]C[6,6]Ga[6]C[6])(H)3	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2{1|Ga<4>,2|N<3>,3|H<1>,4|C<4>}	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	110.7383	15.381	45
854	490	943	0:SP3_SP-NON_SP3	N[6]	C	Ga[6,6]	4:4:4:1:	4:4:1:1:	2:2:4:4:	Ga[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	O[6]-2:O[6]-2:N[6]-4:N[6]-4:	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2{4|C<3>,4|H<1>}	109.6595	2.630	2	109.6595	6.915	2	109.6595	6.915	2	109.6595	6.915	2	109.6595	6.915	2	110.7383	15.381	45
854	490	943	0:SP3_SP-NON_SP3	N[6]	C	Ga[6]	4:2:4:4:	4:1:1:1:	4:2:4:4:	Ga[6]-4:O[6]-2:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:O[6]-2:C-4:C-4:	N[6](Ga[6]O[6]CC)(O[6]Ga[6])(CH3)2	C(N[6]Ga[6]O[6]C)(H)3	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2	N[6](Ga[6]O[6]CC)(O[6]Ga[6])(CH3)2{1|N<4>,2|C<4>}	C(N[6]Ga[6]O[6]C)(H)3	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2{1|Ga<4>,2|C<4>}	113.1265	1.896	2	113.1265	3.594	2	113.1265	3.594	2	113.1265	3.594	2	110.2849	12.126	23	110.7383	15.381	45
854	490	943	0:SP3_SP-NON_SP3	N[6]	C	Ga[6]	4:4:4:1:	4:1:1:1:	4:2:4:4:	Ga[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:O[6]-2:C-4:C-4:	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H)	C(N[6]Ga[6]C[6]H)(H)3	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>}	C(N[6]Ga[6]C[6]H)(H)3	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2{1|C<4>,4|H<1>}	114.5180	0.000	1	114.5180	0.000	1	113.8745	0.828	2	113.8745	0.828	2	110.2849	12.126	23	110.7383	15.381	45
854	490	943	0:SP3_SP-NON_SP3	N[6]	C	Ga[6]	4:4:4:1:	4:1:1:1:	4:2:4:4:	Ga[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:O[6]-2:C-4:C-4:	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H)	C(N[6]Ga[6]C[6]H)(H)3	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>}	C(N[6]Ga[6]C[6]H)(H)3	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<4>,4|H<1>}	113.2310	0.000	1	113.2310	0.000	1	113.8745	0.828	2	113.8745	0.828	2	110.2849	12.126	23	110.7383	15.381	45
854	490	943	0:SP3_SP-NON_SP3	N[6]	C	Ga[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	Ga[6]-4:Ga[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:N[6]-4:H-1:H-1:	N[6](Ga[6]N[6]HH)2(CH3)(H)	C(N[6]Ga[6]2H)(H)3	Ga[6](N[6]Ga[6]CH)2(H)2	N[6](Ga[6]N[6]HH)2(CH3)(H){1|Ga<4>,2|C<4>,2|H<1>}	C(N[6]Ga[6]2H)(H)3	Ga[6](N[6]Ga[6]CH)2(H)2{1|N<4>,4|H<1>}	111.0797	1.339	6	111.0797	1.794	6	111.0797	1.794	6	111.0797	1.794	6	110.2849	12.126	23	110.7383	15.381	45
854	490	943	0:SP3_SP-NON_SP3	N[6]	C	Ga[6]	4:4:4:2:	4:1:1:1:	4:2:4:4:	Ga[6]-4:C[6]-4:C-4:O-2:	N[6]-4:H-1:H-1:H-1:	N[6]-4:O[6]-2:C-4:C-4:	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa)	C(N[6]Ga[6]C[6]O)(H)3	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa){1|N<3>,2|H<1>}	C(N[6]Ga[6]C[6]O)(H)3	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2{2|C<4>,2|H<1>}	111.2080	0.000	1	111.2080	0.000	1	111.2080	0.000	1	111.2080	0.000	1	110.2849	12.126	23	110.7383	15.381	45
854	490	943	0:SP3_SP-NON_SP3	N[6]	C	Ga[6]	4:4:4:4:	4:1:1:1:	4:4:1:1:	Ga[6]-4:Ga[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:N[6]-4:H-1:H-1:	N[6](Ga[6]N[6]HH)2(CH3)2	C(N[6]Ga[6]2C)(H)3	Ga[6](N[6]Ga[6]CC)2(H)2	N[6](Ga[6]N[6]HH)2(CH3)2{1|Ga<4>,4|C<4>}	C(N[6]Ga[6]2C)(H)3	Ga[6](N[6]Ga[6]CC)2(H)2{1|N<4>,4|H<1>}	108.7387	4.024	12	108.7387	16.195	12	108.7387	16.195	12	108.7387	16.195	12	110.2849	12.126	23	110.7383	15.381	45
854	490	951	0:SP3_SP-NON_SP3	N[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C(N[6,6]C[3x6]C[6,6]H)(H)3	H(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C(N[6,6]C[3x6]C[6,6]H)(H)3	H(N[6,6]C[3x6]C[6,6]C)	104.4490	0.000	1	106.1660	5.896	2	106.1660	5.896	2	104.2770	25.499	4	104.2945	15.342	8	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C(N[6,6]C[3x6]C[6,6]H)(H)3	H(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(N[6,6]C[3x6]C[6,6]H)(H)3	H(N[6,6]C[3x6]C[6,6]C)	107.8830	0.000	1	106.1660	5.896	2	106.1660	5.896	2	104.2770	25.499	4	104.2945	15.342	8	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6]-4:	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H)	C(N[6,6]C[4,6,6]C[6,6]H)(H)3	H(N[6,6]C[4,6,6]C[6,6]C)	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H){3|C<4>,4|H<1>}	C(N[6,6]C[4,6,6]C[6,6]H)(H)3	H(N[6,6]C[4,6,6]C[6,6]C)	107.6950	0.000	1	107.6950	0.000	1	107.6950	0.000	1	104.2770	25.499	4	104.2945	15.342	8	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6]2H)2(CH3)(H)	C(N[6,6]C[6,6]2H)(H)3	H(N[6,6]C[6,6]2C)	N[6,6](C[6,6]C[6]2H)2(CH3)(H){2|C<4>,8|H<1>}	C(N[6,6]C[6,6]2H)(H)3	H(N[6,6]C[6,6]2C)	97.0810	0.000	1	97.0810	0.000	1	97.0810	0.000	1	104.2770	25.499	4	104.2945	15.342	8	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C(N[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(N[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(N[6,6]C[3x6]C[6,6]C)	108.5160	0.000	1	108.5160	0.000	1	104.3120	10.297	4	104.3120	10.297	4	104.2945	15.342	8	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	H(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	H(N[6,6]C[3x6]C[6,6]C)	104.0110	0.250	2	102.9107	3.664	3	104.3120	10.297	4	104.3120	10.297	4	104.2945	15.342	8	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	H(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	H(N[6,6]C[3x6]C[6,6]C)	100.7100	0.000	1	102.9107	3.664	3	104.3120	10.297	4	104.3120	10.297	4	104.2945	15.342	8	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	H(N[6]C[6]2C)	106.7845	1.360	2	106.7845	1.849	2	106.7845	1.849	2	106.7845	1.849	2	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:2:4:1:	4:1:1:1:	4:	B[6]-4:O[6]-2:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H)	C(N[6]B[6]O[6]H)(H)3	H(N[6]B[6]O[6]C)	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H){1|N<4>,6|C<3>}	C(N[6]B[6]O[6]H)(H)3	H(N[6]B[6]O[6]C)	106.1220	0.000	1	106.1220	0.000	1	106.1220	0.000	1	106.1220	0.000	1	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|N<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	109.3800	0.000	1	107.8030	4.974	2	107.8030	4.974	2	107.8030	4.974	2	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	106.2260	0.000	1	107.8030	4.974	2	107.8030	4.974	2	107.8030	4.974	2	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]2H)(H){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	H(N[6]C[6]2C)	108.4230	0.000	1	109.1997	0.406	6	109.1997	0.406	6	109.1997	0.406	6	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]2H)(H){1|N<4>,4|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	H(N[6]C[6]2C)	109.3550	0.571	5	109.1997	0.406	6	109.1997	0.406	6	109.1997	0.406	6	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H)	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	108.2170	0.000	1	108.2170	0.000	1	104.6024	93.917	8	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[5a]HH)(H)	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[5a]HH)(H){1|O<2>,4|H<1>}	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	104.0861	10.348	7	104.0861	107.081	7	104.6024	93.917	8	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	105.3410	0.000	1	105.3410	0.000	1	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	106.6630	0.000	1	106.6630	0.000	1	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	105.2730	0.000	1	105.2730	0.000	1	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	105.4450	0.000	1	105.4450	0.000	1	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	111.0060	0.000	1	111.0060	0.000	1	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	105.0630	0.000	1	105.0630	0.000	1	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	106.2440	0.000	1	106.2440	0.000	1	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	105.7760	0.000	1	105.7760	0.000	1	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	108.6230	0.000	1	108.6230	0.000	1	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	107.5420	0.000	1	106.2925	3.123	2	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	105.0430	0.000	1	106.2925	3.123	2	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	95.9968	0.000	1	107.0843	10.546	49	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	106.3423	4.168	18	107.0843	10.546	49	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|F<1>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	107.2940	0.000	1	107.0843	10.546	49	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	108.1508	1.916	6	107.0843	10.546	49	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	108.0240	1.307	4	107.0843	10.546	49	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	107.8036	1.449	17	107.0843	10.546	49	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	107.8490	0.000	1	107.0843	10.546	49	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	108.1680	0.000	1	107.0843	10.546	49	106.9859	9.211	60	106.7054	18.522	68	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	H(N[6]C[6]2C)	105.7805	0.254	2	105.7805	0.064	2	107.3007	6.965	3	107.3007	6.965	3	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	H(N[6]C[6]2C)	110.3410	0.000	1	110.3410	0.000	1	107.3007	6.965	3	107.3007	6.965	3	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H)	C(N[6]C[5,6,6]C[6]H)(H)3	H(N[6]C[5,6,6]C[6]C)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,7|C<4>}	C(N[6]C[5,6,6]C[6]H)(H)3	H(N[6]C[5,6,6]C[6]C)	107.3730	0.000	1	107.3730	0.000	1	107.3730	0.000	1	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	106.0733	2.256	3	104.2640	5.339	11	104.9692	9.464	19	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	103.5855	2.060	8	104.2640	5.339	11	104.9692	9.464	19	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	107.6170	0.000	1	107.6170	0.000	1	104.9692	9.464	19	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	106.7263	0.076	3	106.7263	0.006	3	104.9692	9.464	19	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	96.8790	0.000	1	96.8790	0.000	1	104.9692	9.464	19	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H)	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H){3|C<4>,5|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	105.4210	0.000	1	105.4210	0.000	1	104.9692	9.464	19	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<3>}	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	109.6020	0.000	1	108.7075	1.600	2	104.9692	9.464	19	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	H(N[6]C[6,6]C[6]C)	107.8130	0.000	1	108.7075	1.600	2	104.9692	9.464	19	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[5,6]HH)2(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[5,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	110.0580	0.000	1	110.0580	0.000	1	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){2|H<1>,3|C<4>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	106.2950	0.000	1	106.2950	0.000	1	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	107.2420	0.000	1	107.4050	0.053	2	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	107.5680	0.000	1	107.4050	0.053	2	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	106.7970	0.000	1	106.7970	0.000	1	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CC)2(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]CC)2(CH3)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	104.5080	0.973	3	104.5080	0.946	3	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	106.1310	0.000	1	104.8640	5.142	3	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	106.2150	0.000	1	104.8640	5.142	3	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|N<4>,4|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	102.2460	0.000	1	104.8640	5.142	3	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	106.0815	0.736	2	106.0815	0.542	2	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	106.1362	1.103	6	107.2919	3.658	151	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,4|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	107.8170	0.153	2	107.2919	3.658	151	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	105.2830	0.000	1	107.2919	3.658	151	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	106.6861	2.380	18	107.2919	3.658	151	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	107.1911	2.013	48	107.2919	3.658	151	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	107.6218	1.421	64	107.2919	3.658	151	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,4|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	107.5203	3.597	7	107.2919	3.658	151	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	105.8917	0.833	3	107.2919	3.658	151	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){3|C<3>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	109.8535	1.890	2	107.2919	3.658	151	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]N[6]HH)2(CH3)(H)	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	N[6](C[6]N[6]HH)2(CH3)(H){3|C<4>}	C(N[6]C[6]2H)(H)3	H(N[6]C[6]2C)	110.9440	0.000	1	110.9440	0.000	1	107.2137	3.820	165	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	Ga[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H)	C(N[6]Ga[6]C[6]H)(H)3	H(N[6]Ga[6]C[6]C)	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>}	C(N[6]Ga[6]C[6]H)(H)3	H(N[6]Ga[6]C[6]C)	105.0360	3.670	2	105.0360	13.468	2	105.0360	13.468	2	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:1:1:1:	4:	Ga[6]-4:Ga[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](Ga[6]N[6]HH)2(CH3)(H)	C(N[6]Ga[6]2H)(H)3	H(N[6]Ga[6]2C)	N[6](Ga[6]N[6]HH)2(CH3)(H){1|Ga<4>,2|C<4>,2|H<1>}	C(N[6]Ga[6]2H)(H)3	H(N[6]Ga[6]2C)	107.0420	0.282	3	107.0420	0.080	3	107.0420	0.080	3	106.9644	4.783	190	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:3:1:1:	4:	B[5,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6a]-3:H-1:H-1:	N[6]-4:	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H)	C(N[6]B[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(N[6]B[5,6]C[6]C)	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	C(N[6]B[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(N[6]B[5,6]C[6]C)	107.3380	0.000	1	107.3380	0.000	1	107.3380	0.000	1	107.8382	2.422	25	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:3:1:1:	4:	B[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6a]-3:H-1:H-1:	N[6]-4:	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H)	C(N[6]B[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(N[6]B[6,6]C[6]C)	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	C(N[6]B[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(N[6]B[6,6]C[6]C)	107.6850	0.000	1	107.6850	0.000	1	107.6850	0.000	1	107.8382	2.422	25	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:3:1:1:	4:	B[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6a]-3:H-1:H-1:	N[6]-4:	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H)	C(N[6]B[6]C[6]H)(C[6a]C[6a]2)(H)2	H(N[6]B[6]C[6]C)	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,4|H<1>}	C(N[6]B[6]C[6]H)(C[6a]C[6a]2)(H)2	H(N[6]B[6]C[6]C)	107.5365	0.446	2	107.5365	0.199	2	107.5365	0.199	2	107.8382	2.422	25	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-3:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C(N[6]C[6,6]C[6]H)(CCH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]H)(CCH)(H)2	H(N[6]C[6,6]C[6]C)	102.6530	0.000	1	102.6530	0.000	1	104.7840	9.082	2	107.8382	2.422	25	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-3:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C(N[6]C[6,6]C[6]H)(CCH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C(N[6]C[6,6]C[6]H)(CCH)(H)2	H(N[6]C[6,6]C[6]C)	106.9150	0.000	1	106.9150	0.000	1	104.7840	9.082	2	107.8382	2.422	25	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)2(CCHH)(H){2|H<1>,3|C<4>}	C(N[6]C[6]2H)(CCH)(H)2	H(N[6]C[6]2C)	110.9180	0.000	1	110.9180	0.000	1	108.3819	1.726	14	107.8382	2.422	25	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C(N[6]C[6]2H)(CCH)(H)2	H(N[6]C[6]2C)	108.5918	1.026	8	108.2114	1.713	10	108.3819	1.726	14	107.8382	2.422	25	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C(N[6]C[6]2H)(CCH)(H)2	H(N[6]C[6]2C)	105.6280	0.000	1	108.2114	1.713	10	108.3819	1.726	14	107.8382	2.422	25	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C(N[6]C[6]2H)(CCH)(H)2	H(N[6]C[6]2C)	107.7520	0.000	1	108.2114	1.713	10	108.3819	1.726	14	107.8382	2.422	25	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CC[6a]C)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C(N[6]C[6]2H)(CC[6a]C)(H)2	H(N[6]C[6]2C)	108.1550	0.000	1	108.1550	0.000	1	108.3819	1.726	14	107.8382	2.422	25	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(COO)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C(N[6]C[6]2H)(COO)(H)2	H(N[6]C[6]2C)	108.0800	0.250	2	108.0800	0.063	2	108.3819	1.726	14	107.8382	2.422	25	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[5]-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C(N[6]C[6]2H)(C[5]N[5]2)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(C[5]N[5]2)(H)2	H(N[6]C[6]2C)	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.8382	2.422	25	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	C(N[6]C[6]2H)(C[6]C[6]2)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(C[6]C[6]2)(H)2	H(N[6]C[6]2C)	107.8430	1.014	4	107.8430	1.028	4	107.8430	1.028	4	107.8382	2.422	25	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6a]-3:C-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){4|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	H(N[6]C[6,6]C[6]C)	109.6520	0.000	1	109.6520	0.000	1	109.6520	0.000	1	107.7386	8.509	5	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-3:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6]CH)(H)	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6]CH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	H(N[6]C[6]2C)	107.2602	3.134	4	107.2602	9.820	4	107.2602	9.820	4	107.7386	8.509	5	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){4|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	H(N[6]C[6,6]C[6]C)	103.6860	0.233	2	103.6860	0.054	2	105.2020	3.399	4	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C(N[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,5|H<1>}	C(N[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	H(N[6]C[6,6]C[6]C)	107.4070	0.000	1	107.4070	0.000	1	105.2020	3.399	4	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	H(N[6]C[6,6]C[6]C)	106.0290	0.000	1	106.0290	0.000	1	105.2020	3.399	4	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[3]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	H(N[6]C[6,6]C[6]C)	105.9320	0.628	4	105.9320	0.394	4	106.3732	1.269	5	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[3]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	H(N[6]C[6,6]C[6]C)	108.1380	0.000	1	108.1380	0.000	1	106.3732	1.269	5	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,2|C<4>,2|H<1>}	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	107.0600	0.000	1	106.6810	0.287	2	106.6810	0.287	2	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	106.3020	0.000	1	106.6810	0.287	2	106.6810	0.287	2	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)2(CC[3]HH)(H)	C(C[3]C[3]2H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)2(CC[3]HH)(H){2|H<1>,3|C<4>}	C(C[3]C[3]2H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	108.1310	0.000	1	108.1310	0.000	1	108.1310	0.000	1	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CC)2(CC[5]HH)(H)	C(C[5]B[5]C[5]H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CC)2(CC[5]HH)(H){1|C<4>,4|H<1>}	C(C[5]B[5]C[5]H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	107.6360	0.000	1	107.6360	0.000	1	108.5727	1.839	4	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C(C[5]C[5]2H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|N<3>,4|H<1>}	C(C[5]C[5]2H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	108.2180	0.000	1	108.2180	0.000	1	108.5727	1.839	4	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|O<2>,4|H<1>}	C(C[5]C[5]O[5]H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	109.2185	1.918	2	109.2185	3.680	2	108.5727	1.839	4	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	C(C[6]C[6]2H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6]HH)(H){1|N<3>,4|H<1>}	C(C[6]C[6]2H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	108.8500	0.000	1	108.8500	0.000	1	108.2690	0.675	2	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	107.6880	0.000	1	107.6880	0.000	1	108.2690	0.675	2	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:B-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CBHH)(H)	C(N[6]C[6]2H)(BF3)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CBHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(BF3)(H)2	H(N[6]C[6]2C)	107.3700	0.000	1	107.3700	0.000	1	107.3700	0.000	1	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2H)(CCHO)(H)2	H(N[6]C[6]2C)	106.6990	0.071	2	106.6990	0.005	2	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CC)2(CCHH)(H)	C(N[6]C[6]2H)(CBCH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CBCH)(H)2	H(N[6]C[6]2C)	103.4440	0.000	1	103.4440	0.000	1	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CC)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	H(N[6]C[6]2C)	105.8113	0.487	4	105.8113	0.237	4	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CC)2(CCHH)(H)	C(N[6]C[6]2H)(CH3)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CH3)(H)2	H(N[6]C[6]2C)	103.8120	0.000	1	103.8120	0.000	1	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	H(N[6]C[6]2C)	112.0260	0.000	1	112.0260	0.000	1	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	H(N[6]C[6]2C)	108.7943	2.561	33	108.5118	6.204	75	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	H(N[6]C[6]2C)	109.1600	2.968	16	108.5118	6.204	75	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	H(N[6]C[6]2C)	107.9000	2.099	15	108.5118	6.204	75	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	H(N[6]C[6]2C)	107.5555	1.747	11	108.5118	6.204	75	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CCHO)(H)2	H(N[6]C[6]2C)	112.4350	0.000	1	108.3828	3.484	9	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C(N[6]C[6]2H)(CCHO)(H)2	H(N[6]C[6]2C)	108.2591	0.446	7	108.3828	3.484	9	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C(N[6]C[6]2H)(CCHO)(H)2	H(N[6]C[6]2C)	105.1960	0.000	1	108.3828	3.484	9	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CC[5]HH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CC[5]HH)(H)2	H(N[6]C[6]2C)	107.6390	0.269	8	107.6390	0.072	8	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CC[5a]HH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2H)(CC[5a]HH)(H)2	H(N[6]C[6]2C)	104.4290	0.000	1	104.4290	0.000	1	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CC[5a]HO)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C(N[6]C[6]2H)(CC[5a]HO)(H)2	H(N[6]C[6]2C)	108.2450	0.427	2	108.2450	0.182	2	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CC[6a]HH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CC[6a]HH)(H)2	H(N[6]C[6]2C)	108.0614	0.872	5	108.4412	2.698	13	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CC[6a]HH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C(N[6]C[6]2H)(CC[6a]HH)(H)2	H(N[6]C[6]2C)	108.6785	2.006	8	108.4412	2.698	13	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CClHH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CClHH)(H)2	H(N[6]C[6]2C)	109.1340	0.000	1	107.6453	1.034	4	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CClHH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C(N[6]C[6]2H)(CClHH)(H)2	H(N[6]C[6]2C)	107.1490	0.271	3	107.6453	1.034	4	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CH3)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CH3)(H)2	H(N[6]C[6]2C)	107.3260	0.000	1	106.4718	12.962	21	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CH3)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C(N[6]C[6]2H)(CH3)(H)2	H(N[6]C[6]2C)	107.4702	1.359	15	106.4718	12.962	21	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CH3)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C(N[6]C[6]2H)(CH3)(H)2	H(N[6]C[6]2C)	103.3059	6.473	5	106.4718	12.962	21	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHN)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CHHN)(H)2	H(N[6]C[6]2C)	108.0236	3.890	5	108.0830	8.669	21	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHN)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2H)(CHHN)(H)2	H(N[6]C[6]2C)	102.8820	0.000	1	108.0830	8.669	21	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHN)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C(N[6]C[6]2H)(CHHN)(H)2	H(N[6]C[6]2C)	108.1965	2.411	13	108.0830	8.669	21	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHN)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C(N[6]C[6]2H)(CHHN)(H)2	H(N[6]C[6]2C)	110.0935	2.792	2	108.0830	8.669	21	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHO)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	H(N[6]C[6]2C)	107.8050	0.000	1	107.8839	2.367	18	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHO)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|N<4>,3|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	H(N[6]C[6]2C)	107.9020	0.000	1	107.8839	2.367	18	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHO)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	H(N[6]C[6]2C)	105.9480	1.930	2	107.8839	2.367	18	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHO)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	H(N[6]C[6]2C)	106.8660	1.117	4	107.8839	2.367	18	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHO)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	H(N[6]C[6]2C)	108.8410	1.250	9	107.8839	2.367	18	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHO)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	H(N[6]C[6]2C)	107.2750	0.000	1	107.8839	2.367	18	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHS)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C(N[6]C[6]2H)(CHHS)(H)2	H(N[6]C[6]2C)	105.7527	0.535	3	105.7527	0.287	3	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CN[5]HH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CN[5]HH)(H)2	H(N[6]C[6]2C)	106.9490	0.000	1	107.2135	0.140	2	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CN[5]HH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C(N[6]C[6]2H)(CN[5]HH)(H)2	H(N[6]C[6]2C)	107.4780	0.000	1	107.2135	0.140	2	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CN[5a]HH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C(N[6]C[6]2H)(CN[5a]HH)(H)2	H(N[6]C[6]2C)	107.7140	0.000	1	107.7140	0.000	1	107.9094	6.327	187	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:P-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H)	C(N[6]C[6]2H)(PO3)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	C(N[6]C[6]2H)(PO3)(H)2	H(N[6]C[6]2C)	105.9880	0.000	1	105.9880	0.000	1	107.5872	3.060	8	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:P-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CHHP)(H)	C(N[6]C[6]2H)(PC[6a]OO)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CHHP)(H){1|N<4>,4|H<1>}	C(N[6]C[6]2H)(PC[6a]OO)(H)2	H(N[6]C[6]2C)	107.3347	1.147	4	107.3347	1.316	4	107.5872	3.060	8	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:P-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CHHP)(H)	C(N[6]C[6]2H)(PHOO)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CHHP)(H){1|O<2>,4|H<1>}	C(N[6]C[6]2H)(PHOO)(H)2	H(N[6]C[6]2C)	109.4540	0.000	1	109.4540	0.000	1	107.5872	3.060	8	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:P-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CHHP)(H)	C(N[6]C[6]2H)(PO3)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CHHP)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(PO3)(H)2	H(N[6]C[6]2C)	107.9585	3.301	2	107.9585	10.900	2	107.5872	3.060	8	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:Si-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CSiHH)(H)	C(N[6]C[6]2H)(SiC[6a]CC)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CSiHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(SiC[6a]CC)(H)2	H(N[6]C[6]2C)	108.7320	0.000	1	108.7320	0.000	1	106.9353	2.582	3	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:Si-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CSiHH)(H)	C(N[6]C[6]2H)(SiC[6a]SiC)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CSiHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(SiC[6a]SiC)(H)2	H(N[6]C[6]2C)	106.0370	0.567	2	106.0370	0.322	2	106.9353	2.582	3	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:1:1:	4:	Ga[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	H(N[6]Ga[6,6]C[6]C)	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	H(N[6]Ga[6,6]C[6]C)	111.8810	1.448	2	111.8810	2.097	2	111.8810	2.097	2	107.8388	5.999	219	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCCH)(H)	C(N[6]C[6]2H)(CCHH)(COO)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CCHH)(COO)(H)	H(N[6]C[6]2C)	104.5960	0.000	1	104.5960	0.000	1	104.5960	0.000	1	104.5960	0.000	1	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCCH)(H)	C(N[6]C[6]2H)(CCHH)(CH3)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCCH)(H){1|N<3>,4|H<1>}	C(N[6]C[6]2H)(CCHH)(CH3)(H)	H(N[6]C[6]2C)	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	105.5710	1.797	2	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:P-4:P-4:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CHPP)(H)	C(N[6]C[6]2H)(PO3)2(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CHPP)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(PO3)2(H)	H(N[6]C[6]2C)	104.6230	0.000	1	104.6230	0.000	1	104.6230	0.000	1	105.5710	1.797	2	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:4:4:	4:	B[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:C-4:C-4:	N[6]-4:	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C(N[6]B[6]C[6]H)(CH3)3	H(N[6]B[6]C[6]C)	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){2|H<1>,2|N<3>}	C(N[6]B[6]C[6]H)(CH3)3	H(N[6]B[6]C[6]C)	105.9110	0.000	1	105.9110	0.000	1	104.9500	1.847	2	105.7442	1.461	4	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:4:4:	4:	B[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:C-4:C-4:	N[6]-4:	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H)	C(N[6]B[6]C[6]H)(CH3)3	H(N[6]B[6]C[6]C)	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	C(N[6]B[6]C[6]H)(CH3)3	H(N[6]B[6]C[6]C)	103.9890	0.000	1	103.9890	0.000	1	104.9500	1.847	2	105.7442	1.461	4	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	C(N[6]C[6]2H)(CH3)3	H(N[6]C[6]2C)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){1|H<1>,1|O<2>,2|C<3>}	C(N[6]C[6]2H)(CH3)3	H(N[6]C[6]2C)	106.6140	0.000	1	106.6140	0.000	1	106.5385	0.011	2	105.7442	1.461	4	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]HH)2(CC3)(H)	C(N[6]C[6]2H)(CH3)3	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2H)(CH3)3	H(N[6]C[6]2C)	106.4630	0.000	1	106.4630	0.000	1	106.5385	0.011	2	105.7442	1.461	4	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	4:4:4:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	Si[5]-5:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CC)2(CSi[5]HH)(H)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CC)2(CSi[5]HH)(H){1|C<4>,4|H<1>}	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	H(N[6]C[6]2C)	105.2743	1.904	3	105.2743	3.624	3	105.2743	3.624	3	105.2743	3.624	3	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	5:4:4:1:	4:4:1:1:	4:	Ga[6,6]-5:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	H(N[6]Ga[6,6]C[6]C)	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	H(N[6]Ga[6,6]C[6]C)	105.9970	3.598	2	105.9970	12.944	2	106.8250	8.529	3	106.8250	8.529	3	107.3370	7.082	534	107.2921	7.311	542
854	490	951	0:SP3_SP-NON_SP3	N[6]	C	H	5:4:4:1:	4:4:1:1:	4:	Ga[6,6]-5:C[6]-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H)	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	H(N[6]Ga[6,6]C[6]C)	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H){1|C<4>,1|N<3>,5|C<3>}	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	H(N[6]Ga[6,6]C[6]C)	108.4810	0.000	1	108.4810	0.000	1	106.8250	8.529	3	106.8250	8.529	3	107.3370	7.082	534	107.2921	7.311	542
854	490	956	0:SP3_SP3_SP3	N[6]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[6,6]-4:C[6]-4:C-4:N-3:	N[6]-4:H-1:H-1:H-1:	N[6]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH)	C(N[6]C[6,6]C[6]N)(H)3	N(N[6]C[6,6]C[6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH){1|C<4>,2|C<3>,5|H<1>}	C(N[6]C[6,6]C[6]N)(H)3	N(N[6]C[6,6]C[6]C)(H)2	105.3930	0.000	1	105.3930	0.000	1	105.3930	0.000	1	105.3930	0.000	1	105.3930	0.000	1	105.3930	0.000	1
854	610	643	0:SP3_SP2_SP3	N[6]	B	C[6,6a]	3:3:4:1:	4:3:3:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:B-4:H-1:	N[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-4:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H)	B(N[6]C[6,6a]2H)(C[6a]C[6a]2)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]BH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H){1|C<4>,2|H<1>,4|C<3>}	B(N[6]C[6,6a]2H)(C[6a]C[6a]2)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]BH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	110.9420	0.584	4	110.9420	0.341	4	110.9420	0.341	4	110.9420	0.341	4	110.9420	0.341	4	110.9420	0.341	4
854	610	880	0:SP3_SP3_SP3	N[6]	B	Si	4:4:4:4:	4:1:1:1:	4:4:4:3:	C[6]-4:C[6]-4:Si-4:B-4:	N[6]-4:H-1:H-1:H-1:	N[6]-4:C-4:C-4:C-3:	N[6](C[6]C[6]HH)2(SiC3)(BH3)	B(N[6]C[6]2Si)(H)3	Si(N[6]C[6]2B)(CH3)2(CHH)	N[6](C[6]C[6]HH)2(SiC3)(BH3){1|O<2>,4|H<1>}	B(N[6]C[6]2Si)(H)3	Si(N[6]C[6]2B)(CH3)2(CHH)	107.3830	0.000	1	107.3830	0.000	1	107.3830	0.000	1	107.3830	0.000	1	107.3830	0.000	1	107.3830	0.000	1
854	610	951	0:SP3_SP-NON_SP3	N[6]	B	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6,6a]-3:B-4:H-1:	N[6]-4:C[6a]-3:C[6a]-3:H-1:	N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H)	B(N[6]C[6,6a]2H)(C[6a]C[6a]2)2(H)	H(N[6]C[6,6a]2B)	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H){1|C<4>,2|H<1>,4|C<3>}	B(N[6]C[6,6a]2H)(C[6a]C[6a]2)2(H)	H(N[6]C[6,6a]2B)	107.5265	0.169	2	107.5265	0.029	2	107.5265	0.029	2	107.5265	0.029	2	106.0588	2.346	10	106.0588	2.346	10
854	610	951	0:SP3_SP-NON_SP3	N[6]	B	H	4:4:4:1:	3:3:3:4:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(N[6]C[6]2H)	H(N[6]C[6]2B)	N[6](C[6]C[6]CH)2(BC[6a]3)(H){1|C<4>,4|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2H)	H(N[6]C[6]2B)	103.5160	0.000	1	103.5160	0.000	1	105.3948	1.127	5	105.3948	1.127	5	106.0588	2.346	10	106.0588	2.346	10
854	610	951	0:SP3_SP-NON_SP3	N[6]	B	H	4:4:4:1:	3:3:3:4:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(N[6]C[6]2H)	H(N[6]C[6]2B)	N[6](C[6]C[6]HH)2(BC[6a]3)(H){1|C<4>,4|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2H)	H(N[6]C[6]2B)	105.8645	0.180	4	105.8645	0.032	4	105.3948	1.127	5	105.3948	1.127	5	106.0588	2.346	10	106.0588	2.346	10
854	610	951	0:SP3_SP-NON_SP3	N[6]	B	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(BH3)(H)	B(N[6]C[6]2H)(H)3	H(N[6]C[6]2B)	N[6](C[6]C[6]HH)2(BH3)(H){1|C<4>,4|H<1>}	B(N[6]C[6]2H)(H)3	H(N[6]C[6]2B)	107.4790	0.038	2	107.4790	0.001	2	107.4790	0.001	2	107.4790	0.001	2	106.0588	2.346	10	106.0588	2.346	10
854	610	951	0:SP3_SP-NON_SP3	N[6]	B	H	4:4:4:1:	4:3:3:3:	4:	C[6,6]-4:C[6,6]-4:B-4:H-1:	N[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H)	B(N[6]C[6,6]2H)(C[6a]C[6a]2)3	H(N[6]C[6,6]2B)	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H){5|C<4>,6|H<1>}	B(N[6]C[6,6]2H)(C[6a]C[6a]2)3	H(N[6]C[6,6]2B)	103.6030	0.000	1	103.6030	0.000	1	103.6030	0.000	1	103.6030	0.000	1	106.0588	2.346	10	106.0588	2.346	10
854	622	874	6:SP3_SP3_SP3	N[6]	O[6]	B[6]	4:2:4:1:	4:4:	3:3:4:2:	B[6]-4:O[6]-2:C-4:H-1:	B[6]-4:N[6]-4:	C[6a]-3:C[6a]-3:N[6]-4:O[6]-2:	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H)	O[6](B[6]C[6a]2N[6])(N[6]B[6]CH)	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6])	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H){1|N<4>,6|C<3>}	O[6](B[6]C[6a]2N[6])(N[6]B[6]CH){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6]){1|B<4>,1|C<4>,4|C<3>,5|H<1>}	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1
854	622	943	6:SP3_SP-NON_SP3	N[3x6]	O[6,6]	Ga[6,6]	4:4:2:4:	4:4:	4:2:4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:Ga[6,6]-4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	99.7913	1.274	2	99.7913	1.623	2	104.0861	21.745	6	104.0861	21.745	6	104.0861	21.745	6	104.3672	18.674	7
854	622	943	6:SP3_SP-NON_SP3	N[3x6]	O[6,6]	Ga[6,6]	4:4:2:4:	4:4:	4:2:4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:Ga[6,6]-4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2{1|Ga<4>,2|C<4>,2|H<1>}	100.0480	0.000	1	100.0480	0.000	1	104.0861	21.745	6	104.0861	21.745	6	104.0861	21.745	6	104.3672	18.674	7
854	622	943	6:SP3_SP-NON_SP3	N[3x6]	O[6,6]	Ga[6,6]	4:4:2:4:	4:4:	4:2:4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:Ga[6,6]-4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	107.9470	0.160	2	107.9470	0.026	2	104.0861	21.745	6	104.0861	21.745	6	104.0861	21.745	6	104.3672	18.674	7
854	622	943	6:SP3_SP-NON_SP3	N[3x6]	O[6,6]	Ga[6,6]	4:4:2:4:	4:4:	4:2:4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:Ga[6,6]-4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2{1|Ga<4>,2|C<4>,2|H<1>}	108.9920	0.000	1	108.9920	0.000	1	104.0861	21.745	6	104.0861	21.745	6	104.0861	21.745	6	104.3672	18.674	7
854	622	943	6:SP3_SP-NON_SP3	N[6]	O[6]	Ga[6]	4:2:4:4:	4:4:	4:2:4:4:	Ga[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:N[6]-4:	N[6]-4:O[6]-2:C-4:C-4:	N[6](Ga[6]O[6]CC)(O[6]Ga[6])(CH3)2	O[6](Ga[6]N[6]CC)(N[6]Ga[6]CC)	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2	N[6](Ga[6]O[6]CC)(O[6]Ga[6])(CH3)2{1|N<4>,2|C<4>}	O[6](Ga[6]N[6]CC)(N[6]Ga[6]CC){1|O<2>,4|C<4>}	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2{1|Ga<4>,2|C<4>}	106.0540	0.000	1	106.0540	0.000	1	106.0540	0.000	1	106.0540	0.000	1	106.0540	0.000	1	104.3672	18.674	7
854	622	951	0:SP3_SP-NON_SP3	N[4x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	B[3x6]-4:N[4x6]-4:	N[4x6]-4:	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2H)	H(N[4x6]C[4x6]2O[6,6])	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2H){2|C<3>,2|N<3>,4|C<4>}	H(N[4x6]C[4x6]2O[6,6])	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	107.3185	4.533	2
854	622	951	0:SP3_SP-NON_SP3	N[6]	O[6]	H	4:2:4:1:	4:4:	4:	B[6]-4:O[6]-2:C-4:H-1:	B[6]-4:N[6]-4:	N[6]-4:	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H)	O[6](B[6]C[6a]2N[6])(N[6]B[6]CH)	H(N[6]B[6]O[6]C)	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H){1|N<4>,6|C<3>}	O[6](B[6]C[6a]2N[6])(N[6]B[6]CH){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	H(N[6]B[6]O[6]C)	105.8130	0.000	1	105.8130	0.000	1	105.8130	0.000	1	105.8130	0.000	1	105.8130	0.000	1	107.3185	4.533	2
854	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:B-4:H-1:	C[6,6a]-3:N[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-4:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]BH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]BH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]BH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]BH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	111.0140	0.410	2	111.0140	0.168	2	111.0140	0.168	2	111.0140	0.168	2	112.0633	3.387	3	112.0633	3.387	3
854	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a,6a]-3:N[6]-4:C[6a]-3:	C[6,6a,6a]-3:N[6]-4:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H){1|N<3>,5|C<3>}	114.1620	0.000	1	114.1620	0.000	1	114.1620	0.000	1	114.1620	0.000	1	112.0633	3.387	3	112.0633	3.387	3
854	643	863	0:SP3_SP2_SP2	N[6]	C[6a]	O	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2O)	O(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O){1|N<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	O(N[6]C[6a]C[6]2)	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1
854	643	874	6:SP3_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:4:4:4:	3:4:3:	4:3:2:1:	C[6,6a]-3:B[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-4:C[6a]-3:	N[6,6]-4:C[6a]-3:H[6]-2:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[6a]B[6])(N[6,6]B[6]C[6]2)(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2{1|B<4>,1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]B[6])(N[6,6]B[6]C[6]2)(C[6a]C[6a]H){1|H<2>,2|C<3>,2|C<4>,9|H<1>}	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	110.7790	0.659	2	110.7790	0.434	2	110.7790	0.434	2	110.7790	0.434	2	110.7790	0.434	2	110.9073	1.330	11
854	643	874	6:SP3_SP2_SP3	N[6]	C[6,6a]	B[6]	3:4:4:4:	3:3:4:	4:3:2:1:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-4:	N[6]-4:C[6a]-3:H[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]B[6]CC)	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2{1|B<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]B[6]CC){1|H<2>,2|C<3>,5|H<1>}	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H){1|H<1>,1|N<3>,4|C<3>}	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	110.9358	1.603	9	110.9073	1.330	11
854	643	874	6:SP3_SP2_SP3	N[6]	C[6,6a]	B[6]	3:4:4:4:	3:3:4:	4:4:1:1:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-4:	N[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]CC)	B[6](N[6]C[6,6a]CC)2(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]CC){1|N<4>,3|C<3>,3|H<1>}	B[6](N[6]C[6,6a]CC)2(H)2{3|C<3>}	111.0682	1.285	8	111.0682	1.652	8	111.0682	1.652	8	111.0682	1.652	8	110.9358	1.603	9	110.9073	1.330	11
854	643	951	0:SP3_SP-NON_SP2	N[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6]-4:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(N[6,6]C[6,6a]C[6,6]C[6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	H(N[6,6]C[6,6a]C[6,6]C[6])	103.7337	1.681	3	103.7337	2.825	3	103.7337	2.825	3	103.7337	2.825	3	103.7337	2.825	3	106.1121	10.131	44
854	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:B-4:H-1:	C[6,6a]-3:N[6]-4:C[6a]-3:	N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]BH)(C[6a]C[6a]H)	H(N[6]C[6,6a]2B)	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]BH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(N[6]C[6,6a]2B)	108.1355	1.148	4	108.1355	1.318	4	108.1355	1.318	4	108.1355	1.318	4	108.1172	3.537	14	106.1121	10.131	44
854	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:	N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]HH)	H(N[6]C[6,6a]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]HH){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(N[6]C[6,6a]C[6]H)	106.8825	0.015	2	106.8825	0.000	2	107.5133	0.563	6	107.5133	0.563	6	108.1172	3.537	14	106.1121	10.131	44
854	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:	N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]HH)	H(N[6]C[6,6a]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	H(N[6]C[6,6a]C[6]H)	107.8287	0.736	4	107.8287	0.541	4	107.5133	0.563	6	107.5133	0.563	6	108.1172	3.537	14	106.1121	10.131	44
854	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[6]-4:C[6a]-3:	N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H)	H(N[6]C[6,6a]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[5,6]H)	106.7980	3.339	2	109.0048	11.290	4	109.0048	11.290	4	109.0048	11.290	4	108.1172	3.537	14	106.1121	10.131	44
854	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[6]-4:C[6a]-3:	N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H)	H(N[6]C[6,6a]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(N[6]C[6,6a]C[5,6]H)	111.2115	1.801	2	109.0048	11.290	4	109.0048	11.290	4	109.0048	11.290	4	108.1172	3.537	14	106.1121	10.131	44
854	643	951	0:SP3_SP-NON_SP2	N[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	H(N[6]C[6a]C[6]2)	102.1425	1.281	8	102.1425	1.642	8	105.1071	11.078	23	105.1071	11.078	23	105.3367	11.327	27	106.1121	10.131	44
854	643	951	0:SP3_SP-NON_SP2	N[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2H)	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2H){2|H<1>,4|C<3>,6|C<4>}	H(N[6]C[6a]C[6]2)	102.3700	1.048	2	102.3700	1.098	2	105.1071	11.078	23	105.1071	11.078	23	105.3367	11.327	27	106.1121	10.131	44
854	643	951	0:SP3_SP-NON_SP2	N[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	H(N[6]C[6a]C[6]2)	108.0570	2.348	2	108.0570	5.511	2	105.1071	11.078	23	105.1071	11.078	23	105.3367	11.327	27	106.1121	10.131	44
854	643	951	0:SP3_SP-NON_SP2	N[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(N[6]C[6a]C[6]2)	106.5055	0.271	2	106.5055	0.073	2	105.1071	11.078	23	105.1071	11.078	23	105.3367	11.327	27	106.1121	10.131	44
854	643	951	0:SP3_SP-NON_SP2	N[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2H)	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	H(N[6]C[6a]C[6]2)	107.1270	0.590	3	107.1270	0.348	3	105.1071	11.078	23	105.1071	11.078	23	105.3367	11.327	27	106.1121	10.131	44
854	643	951	0:SP3_SP-NON_SP2	N[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2H)	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(N[6]C[6a]C[6]2)	104.9920	0.000	1	104.9920	0.000	1	105.1071	11.078	23	105.1071	11.078	23	105.3367	11.327	27	106.1121	10.131	44
854	643	951	0:SP3_SP-NON_SP2	N[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(N[6]C[6a]C[6]2)	108.0170	3.989	5	108.0170	15.912	5	105.1071	11.078	23	105.1071	11.078	23	105.3367	11.327	27	106.1121	10.131	44
854	643	951	0:SP3_SP-NON_SP2	N[6]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:N[6]-4:N[6a]-2:	N[6]-4:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C)(N[6]C[6]2H)(N[6a]C[6a])	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|C<4>,6|H<1>}	H(N[6]C[6a]C[6]2)	103.7340	0.000	1	103.7340	0.000	1	103.7340	0.000	1	103.7340	0.000	1	105.3367	11.327	27	106.1121	10.131	44
854	643	951	0:SP3_SP-NON_SP2	N[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	H(N[6]C[6a]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	H(N[6]C[6a]C[6]2)	108.6465	5.003	2	107.6313	15.606	3	107.6313	15.606	3	107.6313	15.606	3	105.3367	11.327	27	106.1121	10.131	44
854	643	951	0:SP3_SP-NON_SP2	N[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	H(N[6]C[6a]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	H(N[6]C[6a]C[6]2)	105.6010	0.000	1	107.6313	15.606	3	107.6313	15.606	3	107.6313	15.606	3	105.3367	11.327	27	106.1121	10.131	44
854	762	762	6:SP3_SP2_SP2	N[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:	N[3x6]-4:C[6,6]-3:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<2>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,3|H<1>}	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	108.9380	0.157	2	108.9380	0.157	2
854	762	762	6:SP3_SP2_SP2	N[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:N[3x6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:	N[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)2(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)	N[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)2(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H){3|C<4>,3|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H){3|C<4>,3|H<1>}	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	108.9380	0.157	2	108.9380	0.157	2
854	762	951	0:SP3_SP-NON_SP2	N[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	N[3x6]-4:C[6,6]-3:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<2>,1|C<4>,3|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(N[3x6]C[6,6]3)	107.0420	0.000	1	107.0420	0.000	1	107.0420	0.000	1	107.0420	0.000	1	105.0134	15.823	4	108.3553	31.083	14
854	762	951	0:SP3_SP-NON_SP2	N[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<2>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H){1|C<4>,2|C<3>,3|H<1>}	H(N[3x6]C[6,6]3)	108.8420	0.000	1	108.8420	0.000	1	108.8420	0.000	1	108.8420	0.000	1	105.0134	15.823	4	108.3553	31.083	14
854	762	951	0:SP3_SP-NON_SP2	N[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H){2|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	99.6826	0.000	1	102.0848	11.541	2	102.0848	11.541	2	102.0848	11.541	2	105.0134	15.823	4	108.3553	31.083	14
854	762	951	0:SP3_SP-NON_SP2	N[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H){2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	104.4870	0.000	1	102.0848	11.541	2	102.0848	11.541	2	102.0848	11.541	2	105.0134	15.823	4	108.3553	31.083	14
854	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:4:4:1:	4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:O-1:	N[6]-4:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(O)	H(N[6]C[6]2C)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	H(N[6]C[6]2C)	105.2945	1.809	2	105.2945	3.274	2	105.2945	3.274	2	105.2945	3.274	2	109.6921	32.673	10	108.3553	31.083	14
854	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H){1|C<3>,4|H<1>}	H(N[6]C[6]2H)	113.7345	9.592	2	114.0288	48.603	4	114.0288	48.603	4	114.0288	48.603	4	109.6921	32.673	10	108.3553	31.083	14
854	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2H)	114.3230	7.311	2	114.0288	48.603	4	114.0288	48.603	4	114.0288	48.603	4	109.6921	32.673	10	108.3553	31.083	14
854	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2C)	106.3550	0.000	1	106.3550	0.000	1	108.4060	8.413	2	108.4060	8.413	2	109.6921	32.673	10	108.3553	31.083	14
854	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2C)	110.4570	0.000	1	110.4570	0.000	1	108.4060	8.413	2	108.4060	8.413	2	109.6921	32.673	10	108.3553	31.083	14
854	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:In[6]-4:C[6]-3:H-1:	N[6]-4:C[6]-4:C[6]-3:	N[6]-4:	N[6](C[6]C[6,6a]HH)(In[6]O[6]BrO)(C[6]C[6]2)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	H(N[6]In[6]C[6]2)	N[6](C[6]C[6,6a]HH)(In[6]O[6]BrO)(C[6]C[6]2)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	H(N[6]In[6]C[6]2)	105.8430	0.000	1	105.8430	0.000	1	105.8430	0.000	1	105.8430	0.000	1	109.6921	32.673	10	108.3553	31.083	14
854	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	5:4:3:1:	4:4:3:	4:	In[6]-5:C[6]-4:C[6]-3:H-1:	N[6]-4:C[6]-4:C[6]-3:	N[6]-4:	N[6](In[6]O[6]Br2O)(C[6]C[6,6a]HH)(C[6]C[6]2)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	H(N[6]In[6]C[6]2)	N[6](In[6]O[6]Br2O)(C[6]C[6,6a]HH)(C[6]C[6]2)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	H(N[6]In[6]C[6]2)	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	109.6921	32.673	10	108.3553	31.083	14
854	786	951	0:SP3_SP-NON_SP3	N[6]	B[5,6]	H	4:4:4:1:	4:4:2:2:	4:	B[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:O[5]-2:O[5]-2:	N[6]-4:	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H)	B[5,6](C[6]C[6]HH)(N[6]C[6]CH)(O[5]C[5])2	H(N[6]B[5,6]C[6]C)	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	B[5,6](C[6]C[6]HH)(N[6]C[6]CH)(O[5]C[5])2{1|C<4>,8|H<1>}	H(N[6]B[5,6]C[6]C)	105.4300	0.000	1	105.4300	0.000	1	105.4300	0.000	1	105.4300	0.000	1	105.4300	0.000	1	105.4300	0.000	1
854	874	880	0:SP3_SP3_SP3	N[6]	B[6]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	B[6]-4:C[6]-4:Si-4:Si-4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2	Si(N[6]B[6]C[6]Si)(CH3)3	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2{1|N<4>,4|H<1>}	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2{2|Si<4>,1|B<4>,2|H<1>}	Si(N[6]B[6]C[6]Si)(CH3)3	107.4660	2.489	4	107.4660	6.195	4	107.4660	6.195	4	107.4660	6.195	4	107.4660	6.195	4	107.4660	6.195	4
854	874	951	0:SP3_SP-NON_SP3	N[6,6]	B[6,6]	H	4:4:4:1:	4:3:2:2:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	N[6,6]-4:	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H)	B[6,6](N[6,6]C[6]2H)(C[6a]C[6a]2)(O[6]C[6])2	H(N[6,6]B[6,6]C[6]2)	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	B[6,6](N[6,6]C[6]2H)(C[6a]C[6a]2)(O[6]C[6])2{10|H<1>,2|C<3>,2|C<4>}	H(N[6,6]B[6,6]C[6]2)	109.5115	2.074	2	109.5115	4.301	2	109.5115	4.301	2	109.5115	4.301	2	108.2791	4.581	11	108.0042	4.114	28
854	874	951	0:SP3_SP-NON_SP3	N[6,6]	B[6,6]	H	4:4:4:1:	4:3:3:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:N[6]-3:N[6]-3:F-1:	N[6,6]-4:	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(F)	H(N[6,6]B[6,6]C[6]2)	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(F){2|C<4>,8|H<1>}	H(N[6,6]B[6,6]C[6]2)	107.0365	0.009	2	107.0365	0.000	2	107.0365	0.000	2	107.0365	0.000	2	108.2791	4.581	11	108.0042	4.114	28
854	874	951	0:SP3_SP-NON_SP3	N[6,6]	B[6,6]	H	4:4:4:1:	4:3:3:2:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	N[6,6]-4:	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC)	H(N[6,6]B[6,6]C[6]2)	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC){2|C<4>,8|H<1>}	H(N[6,6]B[6,6]C[6]2)	110.1377	2.822	3	110.1377	7.961	3	109.0730	9.842	4	109.0730	9.842	4	108.2791	4.581	11	108.0042	4.114	28
854	874	951	0:SP3_SP-NON_SP3	N[6,6]	B[6,6]	H	4:4:4:1:	4:3:3:2:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	N[6,6]-4:	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH)	H(N[6,6]B[6,6]C[6]2)	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH){2|C<4>,8|H<1>}	H(N[6,6]B[6,6]C[6]2)	105.8790	0.000	1	105.8790	0.000	1	109.0730	9.842	4	109.0730	9.842	4	108.2791	4.581	11	108.0042	4.114	28
854	874	951	0:SP3_SP-NON_SP3	N[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:N[6]-4:N[6]-3:F-1:	N[6,6]-4:	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F)	H(N[6,6]B[6,6]C[6]2)	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,5|H<1>}	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F){2|C<4>,8|H<1>}	H(N[6,6]B[6,6]C[6]2)	107.1580	0.000	1	107.1580	0.000	1	107.1580	0.000	1	107.1580	0.000	1	108.2791	4.581	11	108.0042	4.114	28
854	874	951	0:SP3_SP-NON_SP3	N[6,6]	B[6,6]	H	4:4:4:1:	4:4:4:2:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:O-2:	N[6,6]-4:	N[6,6](B[6,6]C[6]2O)(C[6]C[6]HH)2(H)	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	H(N[6,6]B[6,6]C[6]2)	N[6,6](B[6,6]C[6]2O)(C[6]C[6]HH)2(H){2|C<3>,6|H<1>}	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH){2|C<3>,6|H<1>}	H(N[6,6]B[6,6]C[6]2)	107.2620	0.115	2	107.2620	0.013	2	107.2620	0.013	2	107.2620	0.013	2	108.2791	4.581	11	108.0042	4.114	28
854	874	951	0:SP3_SP-NON_SP3	N[6]	B[6,6]	H	4:4:4:1:	4:4:2:2:	4:	B[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:O[6]-2:O[6]-2:	N[6]-4:	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H)	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2	H(N[6]B[6,6]C[6]C)	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2{2|C<4>,8|H<1>}	H(N[6]B[6,6]C[6]C)	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	106.1185	0.743	2	108.0042	4.114	28
854	874	951	0:SP3_SP-NON_SP3	N[6]	B[6,6]	H	4:4:4:1:	4:4:3:1:	4:	B[6,6]-4:C[6]-4:P-4:H-1:	N[6,6]-4:N[6]-4:N[6]-3:F-1:	N[6]-4:	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)(H)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F)	H(N[6]B[6,6]C[6]P)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)(H){1|P<4>,3|C<4>,3|H<1>}	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F){2|C<4>,8|H<1>}	H(N[6]B[6,6]C[6]P)	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	106.1185	0.743	2	108.0042	4.114	28
854	874	951	0:SP3_SP-NON_SP3	N[6]	B[6]	H	4:2:4:1:	3:3:4:2:	4:	B[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:O[6]-2:	N[6]-4:	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H)	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6])	H(N[6]B[6]O[6]C)	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H){1|N<4>,6|C<3>}	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6]){1|B<4>,1|C<4>,4|C<3>,5|H<1>}	H(N[6]B[6]O[6]C)	104.3820	0.000	1	104.3820	0.000	1	104.3820	0.000	1	104.3820	0.000	1	108.0540	4.040	15	108.0042	4.114	28
854	874	951	0:SP3_SP-NON_SP3	N[6]	B[6]	H	4:4:1:1:	2:4:3:3:	4:	C[6]-4:B[6]-4:H-1:H-1:	O[6]-2:N[6]-4:C-3:C-3:	N[6]-4:	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2	B[6](O[6]C[6,6a])(N[6]C[6]HH)(CC[6a]C)2	H(N[6]B[6]C[6]H)	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2{2|C<3>}	B[6](O[6]C[6,6a])(N[6]C[6]HH)(CC[6a]C)2{2|C<3>,2|H<1>}	H(N[6]B[6]C[6]H)	108.9083	0.288	6	108.9083	0.083	6	108.9083	0.083	6	108.9083	0.083	6	108.0540	4.040	15	108.0042	4.114	28
854	874	951	0:SP3_SP-NON_SP3	N[6]	B[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]B[6]C[6]H)	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2{1|N<4>,4|H<1>}	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|B<4>,4|H<1>}	H(N[6]B[6]C[6]H)	110.0625	2.136	2	110.0625	4.563	2	109.7040	1.743	4	109.7040	1.743	4	108.0540	4.040	15	108.0042	4.114	28
854	874	951	0:SP3_SP-NON_SP3	N[6]	B[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]B[6]C[6]H)	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]B[6]C[6]H)	109.3455	0.391	2	109.3455	0.153	2	109.7040	1.743	4	109.7040	1.743	4	108.0540	4.040	15	108.0042	4.114	28
854	874	951	0:SP3_SP-NON_SP3	N[6]	B[6]	H	4:4:4:1:	3:4:1:1:	4:	B[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	B[6](C[5,6]N[5,6]N[5])(N[6]C[6]CH)(H)2	H(N[6]B[6]C[6]C)	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){2|H<1>,2|N<3>}	B[6](C[5,6]N[5,6]N[5])(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(N[6]B[6]C[6]C)	107.3910	0.000	1	107.3910	0.000	1	107.3910	0.000	1	107.3910	0.000	1	108.0540	4.040	15	108.0042	4.114	28
854	874	951	0:SP3_SP-NON_SP3	N[6]	B[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H)	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]B[6]C[6]C)	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]B[6]C[6]C)	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	108.0540	4.040	15	108.0042	4.114	28
854	874	951	0:SP3_SP-NON_SP3	N[6]	B[6]	H	4:4:4:1:	4:4:2:2:	4:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:O-2:O-2:	N[6]-4:	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H)	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2	H(N[6]B[6]C[6]C)	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,4|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2{1|C<4>,4|H<1>}	H(N[6]B[6]C[6]C)	104.8440	0.410	2	104.8440	0.168	2	104.8440	0.168	2	104.8440	0.168	2	108.0540	4.040	15	108.0042	4.114	28
854	880	880	0:SP3_SP3_SP3	N[6]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	B[6]-4:C[6]-4:Si-4:Si-4:	N[6]-4:C-4:C-4:C-4:	N[6]-4:C-4:C-4:C-4:	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2	Si(N[6]B[6]C[6]Si)(CH3)3	Si(N[6]B[6]C[6]Si)(CH3)3	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2{1|N<4>,4|H<1>}	Si(N[6]B[6]C[6]Si)(CH3)3	Si(N[6]B[6]C[6]Si)(CH3)3	113.9975	0.037	2	113.9975	0.001	2	113.9975	0.001	2	113.9975	0.001	2	113.9975	0.001	2	113.9975	0.001	2
854	893	943	0:SP3_SP-NON_SP3	N[6]	O	Ga[6]	4:4:4:2:	4:4:	4:2:4:4:	Ga[6]-4:C[6]-4:C-4:O-2:	N[6]-4:Ga-4:	N[6]-4:O[6]-2:C-4:C-4:	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa)	O(N[6]Ga[6]C[6]C)(GaCCO)	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa){1|N<3>,2|H<1>}	O(N[6]Ga[6]C[6]C)(GaCCO)	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2{2|C<4>,2|H<1>}	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1
854	893	951	0:SP3_SP-NON_SP3	N[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6]CC)2(OH)(H)	O(N[6]C[6]2H)(H)	H(N[6]C[6]2O)	N[6](C[6]C[6]CC)2(OH)(H){1|C<4>,4|H<1>}	O(N[6]C[6]2H)(H)	H(N[6]C[6]2O)	108.1010	0.000	1	108.1010	0.000	1	107.9275	0.060	2	107.9275	0.060	2	107.0463	3.715	7	107.0463	3.715	7
854	893	951	0:SP3_SP-NON_SP3	N[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(OH)(H)	O(N[6]C[6]2H)(H)	H(N[6]C[6]2O)	N[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	O(N[6]C[6]2H)(H)	H(N[6]C[6]2O)	107.7540	0.000	1	107.7540	0.000	1	107.9275	0.060	2	107.9275	0.060	2	107.0463	3.715	7	107.0463	3.715	7
854	893	951	0:SP3_SP-NON_SP3	N[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-4:B-4:	N[6]-4:	N[6](C[6]C[6]CC)2(OB)(H)	O(N[6]C[6]2H)(BC[6a]2C)	H(N[6]C[6]2O)	N[6](C[6]C[6]CC)2(OB)(H){1|C<4>,4|H<1>}	O(N[6]C[6]2H)(BC[6a]2C)	H(N[6]C[6]2O)	105.8290	0.000	1	105.8290	0.000	1	105.2790	2.474	3	106.6938	5.014	5	107.0463	3.715	7	107.0463	3.715	7
854	893	951	0:SP3_SP-NON_SP3	N[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-4:B-4:	N[6]-4:	N[6](C[6]C[6]CC)2(OB)(H)	O(N[6]C[6]2H)(BC[6a]2H)	H(N[6]C[6]2O)	N[6](C[6]C[6]CC)2(OB)(H){1|C<4>,4|H<1>}	O(N[6]C[6]2H)(BC[6a]2H)	H(N[6]C[6]2O)	106.5030	0.000	1	106.5030	0.000	1	105.2790	2.474	3	106.6938	5.014	5	107.0463	3.715	7	107.0463	3.715	7
854	893	951	0:SP3_SP-NON_SP3	N[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-4:B-4:	N[6]-4:	N[6](C[6]C[6]CC)2(OB)(H)	O(N[6]C[6]2H)(BC[6a]2O)	H(N[6]C[6]2O)	N[6](C[6]C[6]CC)2(OB)(H){1|C<4>,4|H<1>}	O(N[6]C[6]2H)(BC[6a]2O)	H(N[6]C[6]2O)	103.5050	0.000	1	103.5050	0.000	1	105.2790	2.474	3	106.6938	5.014	5	107.0463	3.715	7	107.0463	3.715	7
854	893	951	0:SP3_SP-NON_SP3	N[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(OC)(H)	O(N[6]C[6]2H)(CC[5]CH)	H(N[6]C[6]2O)	N[6](C[6]C[6]CC)2(OC)(H){1|C<4>,4|H<1>}	O(N[6]C[6]2H)(CC[5]CH)	H(N[6]C[6]2O)	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	106.6938	5.014	5	107.0463	3.715	7	107.0463	3.715	7
854	893	951	0:SP3_SP-NON_SP3	N[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-4:P-4:	N[6]-4:	N[6](C[6]C[6]CC)2(OP)(H)	O(N[6]C[6]2H)(PCHW)	H(N[6]C[6]2O)	N[6](C[6]C[6]CC)2(OP)(H){1|C<4>,4|H<1>}	O(N[6]C[6]2H)(PCHW)	H(N[6]C[6]2O)	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	106.6938	5.014	5	107.0463	3.715	7	107.0463	3.715	7
854	930	951	0:SP3_SP-NON_SP2	N[6]	C	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(CCH)(H)	C(N[6]C[6]2H)(CAlSi)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)2(CCH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CAlSi)(H)	H(N[6]C[6]2C)	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	102.4908	22.254	5	102.4908	22.254	5
854	930	951	0:SP3_SP-NON_SP2	N[6]	C	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-4:C-4:C-3:	N[6]-4:	N[6](C[6]C[6]CC)2(CCC)(H)	C(N[6]C[6]2H)(CCHH)(CBH)	H(N[6]C[6]2C)	N[6](C[6]C[6]CC)2(CCC)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CCHH)(CBH)	H(N[6]C[6]2C)	100.5419	2.086	4	100.5419	4.352	4	100.5419	4.352	4	100.5419	4.352	4	102.4908	22.254	5	102.4908	22.254	5
854	943	943	6:SP3_SP-NON_SP-NON	N[5x6]	Ga[5x6]	Ga[6,6]	4:4:4:4:	4:4:3:1:	4:3:1:1:	Ga[5x6]-4:Ga[6,6]-4:Ga[6x6]-4:C-4:	N[5x6]-4:N[6x6]-4:N[6,6]-3:H-1:	N[5x6]-4:N[6,6]-3:H-1:H-1:	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3)	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H)	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3){4|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H){2|N<3>,2|N<4>,7|H<1>}	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2{1|N<3>,3|H<1>,3|N<4>}	108.7187	0.366	3	108.7187	0.134	3	108.7187	0.134	3	108.7187	0.134	3	108.7187	0.134	3	111.2883	7.148	28
854	943	943	6:SP3_SP-NON_SP-NON	N[5x6]	Ga[5x6]	Ga[6x6]	4:4:4:4:	4:4:3:1:	4:4:4:1:	Ga[5x6]-4:Ga[6,6]-4:Ga[6x6]-4:C-4:	N[5x6]-4:N[6x6]-4:N[6,6]-3:H-1:	N[5x6]-4:N[5x6]-4:N[5x6]-4:H-1:	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3)	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H)	Ga[6x6](N[5x6]Ga[5x6]Ga[6,6]C)3(H)	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3){4|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H){2|N<3>,2|N<4>,7|H<1>}	Ga[6x6](N[5x6]Ga[5x6]Ga[6,6]C)3(H){1|N<4>,3|N<3>,9|H<1>}	107.6124	0.062	7	107.6124	0.004	7	107.6124	0.004	7	107.6124	0.004	7	107.6124	0.004	7	111.2883	7.148	28
854	943	943	6:SP3_SP-NON_SP-NON	N[5x6]	Ga[6,6]	Ga[6x6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	Ga[5x6]-4:Ga[6,6]-4:Ga[6x6]-4:C-4:	N[5x6]-4:N[6,6]-3:H-1:H-1:	N[5x6]-4:N[5x6]-4:N[5x6]-4:H-1:	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3)	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2	Ga[6x6](N[5x6]Ga[5x6]Ga[6,6]C)3(H)	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3){4|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2{1|N<3>,3|H<1>,3|N<4>}	Ga[6x6](N[5x6]Ga[5x6]Ga[6,6]C)3(H){1|N<4>,3|N<3>,9|H<1>}	113.6634	0.424	5	113.6634	0.179	5	113.6634	0.179	5	113.6634	0.179	5	113.6634	0.179	5	111.2883	7.148	28
854	943	943	6:SP3_SP-NON_SP-NON	N[6]	Ga[6]	Ga[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	Ga[6]-4:Ga[6]-4:C-4:H-1:	N[6]-4:N[6]-4:H-1:H-1:	N[6]-4:N[6]-4:H-1:H-1:	N[6](Ga[6]N[6]HH)2(CH3)(H)	Ga[6](N[6]Ga[6]CH)2(H)2	Ga[6](N[6]Ga[6]CH)2(H)2	N[6](Ga[6]N[6]HH)2(CH3)(H){1|Ga<4>,2|C<4>,2|H<1>}	Ga[6](N[6]Ga[6]CH)2(H)2{1|N<4>,4|H<1>}	Ga[6](N[6]Ga[6]CH)2(H)2{1|N<4>,4|H<1>}	113.1947	1.112	3	113.1947	1.236	3	113.1947	1.236	3	113.1947	1.236	3	113.7645	1.173	6	111.2883	7.148	28
854	943	943	6:SP3_SP-NON_SP-NON	N[6]	Ga[6]	Ga[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	Ga[6]-4:Ga[6]-4:C-4:C-4:	N[6]-4:N[6]-4:H-1:H-1:	N[6]-4:N[6]-4:H-1:H-1:	N[6](Ga[6]N[6]HH)2(CH3)2	Ga[6](N[6]Ga[6]CC)2(H)2	Ga[6](N[6]Ga[6]CC)2(H)2	N[6](Ga[6]N[6]HH)2(CH3)2{1|Ga<4>,4|C<4>}	Ga[6](N[6]Ga[6]CC)2(H)2{1|N<4>,4|H<1>}	Ga[6](N[6]Ga[6]CC)2(H)2{1|N<4>,4|H<1>}	114.3343	0.851	3	114.3343	0.724	3	114.3343	0.724	3	114.3343	0.724	3	113.7645	1.173	6	111.2883	7.148	28
854	943	943	6:SP3_SP-NON_SP-NON	N[6x6]	Ga[5x6]	Ga[5x6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	Ga[5x6]-4:Ga[5x6]-4:Ga[5x6]-4:H-1:	N[5x6]-4:N[6x6]-4:N[6,6]-3:H-1:	N[5x6]-4:N[6x6]-4:N[6,6]-3:H-1:	N[6x6](Ga[5x6]N[5x6]N[6,6]H)3(H)	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H)	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H)	N[6x6](Ga[5x6]N[5x6]N[6,6]H)3(H){4|Ga<4>,3|C<3>,3|C<4>}	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H){2|N<3>,2|N<4>,7|H<1>}	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H){2|N<3>,2|N<4>,7|H<1>}	112.2464	0.221	7	112.2464	0.049	7	112.2464	0.049	7	112.2464	0.049	7	112.2464	0.049	7	111.2883	7.148	28
854	943	951	0:SP3_SP-NON_SP-NON	N[6]	Ga[6,6]	H	4:4:4:1:	2:2:4:4:	4:	Ga[6,6]-4:C[6]-4:C-4:H-1:	O[6]-2:O[6]-2:N[6]-4:N[6]-4:	N[6]-4:	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2	H(N[6]Ga[6,6]C[6]C)	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2{4|C<3>,4|H<1>}	H(N[6]Ga[6,6]C[6]C)	104.4142	7.177	2	104.4142	51.507	2	104.4142	51.507	2	104.4142	51.507	2	104.4142	51.507	2	106.8698	6.529	15
854	943	951	0:SP3_SP-NON_SP-NON	N[6]	Ga[6]	H	4:4:4:1:	4:2:4:4:	4:	Ga[6]-4:C[6]-4:C-4:H-1:	N[6]-4:O[6]-2:C-4:C-4:	N[6]-4:	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H)	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2	H(N[6]Ga[6]C[6]C)	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>}	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2{1|C<4>,4|H<1>}	H(N[6]Ga[6]C[6]C)	111.9240	0.000	1	111.9240	0.000	1	109.7800	9.193	2	109.7800	9.193	2	107.7218	2.996	8	106.8698	6.529	15
854	943	951	0:SP3_SP-NON_SP-NON	N[6]	Ga[6]	H	4:4:4:1:	4:2:4:4:	4:	Ga[6]-4:C[6]-4:C-4:H-1:	N[6]-4:O[6]-2:C-4:C-4:	N[6]-4:	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H)	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2	H(N[6]Ga[6]C[6]C)	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>}	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<4>,4|H<1>}	H(N[6]Ga[6]C[6]C)	107.6360	0.000	1	107.6360	0.000	1	109.7800	9.193	2	109.7800	9.193	2	107.7218	2.996	8	106.8698	6.529	15
854	943	951	0:SP3_SP-NON_SP-NON	N[6]	Ga[6]	H	4:4:4:1:	4:4:1:1:	4:	Ga[6]-4:Ga[6]-4:C-4:H-1:	N[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](Ga[6]N[6]HH)2(CH3)(H)	Ga[6](N[6]Ga[6]CH)2(H)2	H(N[6]Ga[6]2C)	N[6](Ga[6]N[6]HH)2(CH3)(H){1|Ga<4>,2|C<4>,2|H<1>}	Ga[6](N[6]Ga[6]CH)2(H)2{1|N<4>,4|H<1>}	H(N[6]Ga[6]2C)	107.0357	0.311	6	107.0357	0.097	6	107.0357	0.097	6	107.0357	0.097	6	107.7218	2.996	8	106.8698	6.529	15
854	943	951	0:SP3_SP-NON_SP-NON	N[6x6]	Ga[5x6]	H	4:4:4:1:	4:4:3:1:	4:	Ga[5x6]-4:Ga[5x6]-4:Ga[5x6]-4:H-1:	N[5x6]-4:N[6x6]-4:N[6,6]-3:H-1:	N[6x6]-4:	N[6x6](Ga[5x6]N[5x6]N[6,6]H)3(H)	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H)	H(N[6x6]Ga[5x6]3)	N[6x6](Ga[5x6]N[5x6]N[6,6]H)3(H){4|Ga<4>,3|C<3>,3|C<4>}	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H){2|N<3>,2|N<4>,7|H<1>}	H(N[6x6]Ga[5x6]3)	106.4888	0.290	5	106.4888	0.084	5	106.4888	0.084	5	106.4888	0.084	5	106.4888	0.084	5	106.8698	6.529	15
854	951	951	0:SP3_SP-NON_SP-NON	N[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(N[6,6]C[3x6]C[6,6]H)	H(N[6,6]C[3x6]C[6,6]H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(N[6,6]C[3x6]C[6,6]H)	H(N[6,6]C[3x6]C[6,6]H)	107.9370	0.000	1	107.9370	0.000	1	107.9370	0.000	1	107.3503	5.348	3	107.3503	5.348	3	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6]-4:	N[6,6](C[6,6]C[4,6,6]HH)2(H)2	H(N[6,6]C[6,6]2H)	H(N[6,6]C[6,6]2H)	N[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(N[6,6]C[6,6]2H)	H(N[6,6]C[6,6]2H)	104.8010	0.000	1	104.8010	0.000	1	107.0570	10.179	2	107.3503	5.348	3	107.3503	5.348	3	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6]-4:	N[6,6](C[6,6]C[6]2H)2(H)2	H(N[6,6]C[6,6]2H)	H(N[6,6]C[6,6]2H)	N[6,6](C[6,6]C[6]2H)2(H)2{2|O<2>,8|H<1>}	H(N[6,6]C[6,6]2H)	H(N[6,6]C[6,6]2H)	109.3130	0.000	1	109.3130	0.000	1	107.0570	10.179	2	107.3503	5.348	3	107.3503	5.348	3	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	10:4:1:1:	4:	4:	Nb[5x3,4,6]-10:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](Nb[5x3,4,6]C[3,3,4,5]C[3,3,5]4N[4,6]Cl3)(C[6]C[6]HH)(H)2	H(N[6]Nb[5x3,4,6]C[6]H)	H(N[6]Nb[5x3,4,6]C[6]H)	N[6](Nb[5x3,4,6]C[3,3,4,5]C[3,3,5]4N[4,6]Cl3)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,6|H<1>}	H(N[6]Nb[5x3,4,6]C[6]H)	H(N[6]Nb[5x3,4,6]C[6]H)	101.0990	0.000	1	101.0990	0.000	1	101.0990	0.000	1	101.0990	0.000	1	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(N[6]C[6,6a]C[5,6]H)	H(N[6]C[6,6a]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(N[6]C[6,6a]C[5,6]H)	H(N[6]C[6,6a]C[5,6]H)	106.0410	0.000	1	103.7485	10.511	2	103.7485	10.511	2	106.2554	9.259	5	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(N[6]C[6,6a]C[5,6]H)	H(N[6]C[6,6a]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(N[6]C[6,6a]C[5,6]H)	H(N[6]C[6,6a]C[5,6]H)	101.4560	0.000	1	103.7485	10.511	2	103.7485	10.511	2	106.2554	9.259	5	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	H(N[6]C[6,6a]C[6]H)	H(N[6]C[6,6a]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6]H)	H(N[6]C[6,6a]C[6]H)	106.7250	0.000	1	106.7250	0.000	1	107.9267	2.787	3	106.2554	9.259	5	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(N[6]C[6,6a]C[6]H)	H(N[6]C[6,6a]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6]H)	H(N[6]C[6,6a]C[6]H)	108.5275	1.846	2	108.5275	3.409	2	107.9267	2.787	3	106.2554	9.259	5	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	105.0270	0.000	1	109.3975	38.203	2	109.3975	38.203	2	109.3975	38.203	2	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	113.7680	0.000	1	109.3975	38.203	2	109.3975	38.203	2	109.3975	38.203	2	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2	H(N[6]B[6]C[6]H)	H(N[6]B[6]C[6]H)	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2{1|N<4>,4|H<1>}	H(N[6]B[6]C[6]H)	H(N[6]B[6]C[6]H)	106.1900	0.000	1	106.1900	0.000	1	106.6305	0.388	2	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2	H(N[6]B[6]C[6]H)	H(N[6]B[6]C[6]H)	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]B[6]C[6]H)	H(N[6]B[6]C[6]H)	107.0710	0.000	1	107.0710	0.000	1	106.6305	0.388	2	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(N[6]C[3x6]C[6]H)	H(N[6]C[3x6]C[6]H)	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(N[6]C[3x6]C[6]H)	H(N[6]C[3x6]C[6]H)	100.4470	0.000	1	100.4470	0.000	1	100.4470	0.000	1	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(N[6]C[5,6]C[6]H)	H(N[6]C[5,6]C[6]H)	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(N[6]C[5,6]C[6]H)	H(N[6]C[5,6]C[6]H)	106.5100	0.000	1	106.5100	0.000	1	105.8217	17.233	8	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(N[6]C[5,6]C[6]H)	H(N[6]C[5,6]C[6]H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(N[6]C[5,6]C[6]H)	H(N[6]C[5,6]C[6]H)	105.7233	4.474	7	105.7233	20.014	7	105.8217	17.233	8	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)2(H)2	H(N[6]C[6,6]2H)	H(N[6]C[6,6]2H)	N[6](C[6,6]C[6,6]C[6]H)2(H)2{5|C<4>,6|H<1>}	H(N[6]C[6,6]2H)	H(N[6]C[6,6]2H)	107.5960	0.000	1	107.5960	0.000	1	107.5960	0.000	1	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(N[6]C[6,6]C[6]H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(N[6]C[6,6]C[6]H)	H(N[6]C[6,6]C[6]H)	111.3710	0.000	1	111.3710	0.000	1	109.5957	9.979	7	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(N[6]C[6,6]C[6]H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(N[6]C[6,6]C[6]H)	H(N[6]C[6,6]C[6]H)	107.5985	0.349	2	107.5985	0.122	2	109.5957	9.979	7	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(N[6]C[6,6]C[6]H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6]C[6]H)	H(N[6]C[6,6]C[6]H)	107.4670	0.000	1	107.5550	0.015	2	109.5957	9.979	7	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(N[6]C[6,6]C[6]H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(N[6]C[6,6]C[6]H)	H(N[6]C[6,6]C[6]H)	107.6430	0.000	1	107.5550	0.015	2	109.5957	9.979	7	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2	H(N[6]C[6,6]C[6]H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(N[6]C[6,6]C[6]H)	H(N[6]C[6,6]C[6]H)	109.5500	0.000	1	109.5500	0.000	1	109.5957	9.979	7	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(N[6]C[6,6]C[6]H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6,6]C[6]H)	H(N[6]C[6,6]C[6]H)	115.9420	0.000	1	115.9420	0.000	1	109.5957	9.979	7	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:B[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2	H(N[6]B[6]C[6]H)	H(N[6]B[6]C[6]H)	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2{2|C<3>}	H(N[6]B[6]C[6]H)	H(N[6]B[6]C[6]H)	107.7437	0.186	3	107.7437	0.035	3	107.7437	0.035	3	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.8975	2.757	2	107.8975	7.601	2	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.7000	0.000	1	107.7000	0.000	1	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	108.7305	1.696	4	108.7305	2.877	4	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.3790	0.000	1	108.2865	1.647	2	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	109.1940	0.000	1	108.2865	1.647	2	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	106.2163	2.004	3	106.2296	2.929	5	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	106.2495	1.918	2	106.2296	2.929	5	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	109.0600	0.000	1	109.0600	0.000	1	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.6800	0.000	1	107.6800	0.000	1	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6,6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	108.1940	1.817	15	108.1940	3.303	15	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.6520	0.055	2	107.6520	0.003	2	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	112.9140	1.882	2	112.9140	3.543	2	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.8180	0.000	1	107.8180	0.000	1	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{3|C<3>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	112.4630	0.000	1	112.4630	0.000	1	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.8720	0.000	2	107.8720	0.000	2	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	113.5610	4.011	2	113.5610	16.086	2	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	106.5050	0.000	1	106.5050	0.000	1	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.1785	0.671	2	107.1785	0.450	2	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.5630	0.000	1	109.4113	11.297	3	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.3800	0.000	1	109.4113	11.297	3	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	113.2910	0.000	1	109.4113	11.297	3	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CC)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)2(H)2{1|C<3>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	106.3362	5.019	5	106.5389	6.397	30	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CC)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	106.5794	1.876	25	106.5389	6.397	30	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	108.2500	0.000	1	108.3624	4.135	86	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	105.4670	0.000	1	108.3624	4.135	86	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	108.4279	0.738	14	108.3624	4.135	86	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.7805	5.064	2	108.3624	4.135	86	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.5450	0.000	1	108.3624	4.135	86	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	103.2380	3.077	2	108.3624	4.135	86	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.4620	1.071	20	108.3624	4.135	86	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	108.9037	3.480	6	108.3624	4.135	86	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	109.1425	1.825	38	108.3624	4.135	86	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.8000	0.000	1	108.3624	4.135	86	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<3>,2|H<1>,2|O<2>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.6890	0.000	1	106.8957	20.565	24	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<3>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	110.1220	5.582	2	106.8957	20.565	24	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.7350	0.098	2	106.8957	20.565	24	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	108.5227	3.378	7	106.8957	20.565	24	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|N<3>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	103.6931	7.729	5	106.8957	20.565	24	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|N<4>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	106.9760	1.941	6	106.8957	20.565	24	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|S<2>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	102.1130	0.000	1	106.8957	20.565	24	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.8290	0.000	1	107.8399	0.015	7	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|N<4>,1|P<4>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.8417	0.133	6	107.8399	0.015	7	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	108.7604	1.484	7	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	111.6647	3.421	3	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	112.6690	0.000	1	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.3620	0.000	1	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	108.0200	0.000	1	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.8530	0.000	1	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	108.6164	1.295	36	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.9060	0.000	1	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.1858	1.057	6	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	108.0098	2.086	154	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<2>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.7540	0.000	1	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	108.1301	2.713	182	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.9145	0.114	6	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.2150	0.000	1	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	108.1463	2.903	487	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|O<2>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	108.0159	2.455	126	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|O<3>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	108.0580	0.000	1	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|O<4>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.9720	0.409	2	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|S<2>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.5833	0.065	7	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|Si<4>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	114.5640	0.000	1	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	106.9953	1.923	20	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{3|C<3>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	109.2370	0.000	1	108.1139	6.861	1046	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<4>,2|C<3>,2|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.4660	0.204	2	107.4660	0.041	2	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.8530	0.000	1	107.8530	0.000	1	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	106.4500	0.000	1	109.2350	13.969	4	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<3>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	107.8700	0.091	2	109.2350	13.969	4	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	114.7500	0.000	1	109.2350	13.969	4	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6a]C[6]H)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)2(H)2{1|C<4>,3|H<1>,5|C<3>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	112.0140	0.000	1	109.3680	14.003	2	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	951	0:SP3_SP-NON_SP-NON	N[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6]-4:	N[6](C[6]C[6a]C[6]H)2(H)2	H(N[6]C[6]2H)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)2(H)2{2|C<4>,2|H<1>,5|C<3>}	H(N[6]C[6]2H)	H(N[6]C[6]2H)	106.7220	0.000	1	109.3680	14.003	2	108.0868	6.917	1249	108.0714	7.035	1271	108.0609	7.103	1279	108.0593	7.096	1282
854	951	952	0:SP3_SP-NON_SP3	N[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	N[6]-4:	C[6a]-3:N[6]-4:O-1:O-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)(H)	H(N[6]C[6]2S)	S(C[6a]C[6a]2)(N[6]C[6]2H)(O)2	N[6](C[6]C[6]HH)2(SC[6a]OO)(H){1|Br<1>,1|C<3>,2|H<1>}	H(N[6]C[6]2S)	S(C[6a]C[6a]2)(N[6]C[6]2H)(O)2	103.0080	0.000	1	103.0080	0.000	1	103.0080	0.000	1	103.0080	0.000	1	103.0080	0.000	1	103.0080	0.000	1
854	951	961	0:SP3_SP-NON_SP3	N[3x6]	H	S[6,6]	4:4:4:1:	4:	4:3:1:1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:H-1:	N[3x6]-4:	N[3x6]-4:N[3x6]-3:O-1:O-1:	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H)	H(N[3x6]C[6,6]2S[6,6])	S[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(O)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H){1|Rh<8>,3|C<4>}	H(N[3x6]C[6,6]2S[6,6])	S[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(O)2{1|N<3>,1|P<4>,8|H<1>}	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1
854	951	984	0:SP3_SP-NON_SP-NON	N[6]	H	Ga	4:4:4:1:	4:	4:1:1:1:	C[6]-4:C[6]-4:Ga-4:H-1:	N[6]-4:	N[6]-4:Cl-1:Cl-1:Cl-1:	N[6](C[6]C[6]HH)2(GaCl3)(H)	H(N[6]C[6]2Ga)	Ga(N[6]C[6]2H)(Cl)3	N[6](C[6]C[6]HH)2(GaCl3)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2Ga)	Ga(N[6]C[6]2H)(Cl)3	105.5030	0.000	1	105.5030	0.000	1	105.5030	0.000	1	105.5030	0.000	1	105.5030	0.000	1	105.5030	0.000	1
855	466	466	0:SPD6_SP3_SP3	Si[6,6]	C[6]	C[6]	4:4:2:2:1:1:	6:4:1:1:	6:4:1:1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:Cl-1:	Si[6,6]-6:N[6]-4:H-1:H-1:	Si[6,6]-6:N[6]-4:H-1:H-1:	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2{2|N<2>,6|C<4>}	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	177.6260	0.000	1	177.6260	0.000	1	177.6260	0.000	1	177.6260	0.000	1	177.6260	0.000	1	177.6260	0.000	1
855	466	622	0:SPD6_SP2_SP3	Si[6,6]	C[6]	O[6]	4:4:2:2:1:1:	6:4:1:1:	6:3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:Cl-1:	Si[6,6]-6:N[6]-4:H-1:H-1:	Si[6,6]-6:C[6]-3:	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C)	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2{2|N<2>,6|C<4>}	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	90.4865	0.249	2	90.4865	0.062	2	90.4865	0.062	2	90.4865	0.062	2	90.4865	0.062	2	90.4865	0.062	2
855	466	622	6:SPD6_SP2_SP3	Si[6,6]	C[6]	O[6]	4:4:2:2:1:1:	6:4:1:1:	6:3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:Cl-1:	Si[6,6]-6:N[6]-4:H-1:H-1:	Si[6,6]-6:C[6]-3:	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C)	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2{2|N<2>,6|C<4>}	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	91.2021	0.390	2	91.2021	0.152	2	91.2021	0.152	2	91.2021	0.152	2	91.2021	0.152	2	91.2021	0.152	2
855	466	790	0:SPD6_SP-NON_SP3	Si[6,6]	C[6]	Cl	4:4:2:2:1:1:	6:4:1:1:	6:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:Cl-1:	Si[6,6]-6:N[6]-4:H-1:H-1:	Si[6,6]-6:	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2	Cl(Si[6,6]C[6]2O[6]2Cl)	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2{2|N<2>,6|C<4>}	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	Cl(Si[6,6]C[6]2O[6]2Cl)	89.1681	3.108	4	89.1681	9.658	4	89.1681	9.658	4	89.1681	9.658	4	89.1681	9.658	4	89.1681	9.658	4
855	622	622	0:SPD6_SP2_SP2	Si[3x6]	O[6]	O[6]	3:3:3:2:2:2:	3:6:	3:6:	N[6]-3:N[6]-3:N[6]-3:O[6]-2:O[6]-2:O[6]-2:	C[6,6a]-3:Si[3x6]-6:	C[6,6a]-3:Si[3x6]-6:	Si[3x6](N[6]C[6,6a]C)3(O[6]C[6,6a])3	O[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]3O[6]2)	O[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]3O[6]2)	Si[3x6](N[6]C[6,6a]C)3(O[6]C[6,6a])3{9|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]3O[6]2){1|H<1>,3|C<4>,7|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]3O[6]2){1|H<1>,3|C<4>,7|C<3>}	117.2670	50.463	3	117.2670	2546.468	3	117.2670	2546.468	3	117.2670	2546.468	3	117.2670	2546.468	3	133.0895	2391.496	6
855	622	622	0:SPD6_SP2_SP2	Si[6,6]	O[6]	O[6]	3:2:2:3:3:2:	6:3:	6:3:	C[6a]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:O-2:	Si[6,6]-6:C[6,6a]-3:	Si[6,6]-6:C[6,6a]-3:	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a])	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a]){2|C<4>,2|H<1>,6|C<3>}	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,7|C<3>}	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,7|C<3>}	178.3980	0.000	1	178.3980	0.000	1	178.3980	0.000	1	178.3980	0.000	1	148.9119	2681.222	3	133.0895	2391.496	6
855	622	622	0:SPD6_SP2_SP2	Si[6,6]	O[6]	O[6]	3:3:2:2:2:2:	6:3:	6:3:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6]-3:	Si[6,6]-6:C[6]-3:	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	179.2150	0.000	1	179.2150	0.000	1	179.2150	0.000	1	179.2150	0.000	1	148.9119	2681.222	3	133.0895	2391.496	6
855	622	622	0:SPD6_SP2_SP2	Si[6,6]	O[6]	O[6]	4:4:2:2:1:1:	6:3:	6:3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:Cl-1:	Si[6,6]-6:C[6]-3:	Si[6,6]-6:C[6]-3:	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C)	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C)	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2{2|N<2>,6|C<4>}	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	89.1228	0.000	1	89.1228	0.000	1	89.1228	0.000	1	89.1228	0.000	1	148.9119	2681.222	3	133.0895	2391.496	6
855	622	622	6:SPD6_SP2_SP2	Si[6,6]	O[6]	O[6]	3:3:2:2:2:2:	6:3:	6:3:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6]-3:	Si[6,6]-6:C[6]-3:	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	179.9990	0.000	1	179.9990	0.000	1	179.9993	0.000	3	179.9993	0.000	3	179.9993	0.000	3	179.9993	0.000	3
855	622	622	6:SPD6_SP2_SP2	Si[6,6]	O[6]	O[6]	3:3:2:2:2:2:	6:3:	6:3:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6]-3:	Si[6,6]-6:C[6]-3:	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2{4|C<4>,6|C<3>}	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,5|C<3>}	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,5|C<3>}	179.9995	0.001	2	179.9995	0.000	2	179.9993	0.000	3	179.9993	0.000	3	179.9993	0.000	3	179.9993	0.000	3
855	622	643	0:SPD6_SP2_SP2	Si[6,6]	O[6]	C[6a]	3:2:2:3:3:2:	6:3:	6:3:3:	C[6a]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:O-2:	Si[6,6]-6:C[6,6a]-3:	Si[6,6]-6:C[6a]-3:C[6a]-3:	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a])	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	C[6a](Si[6,6]N[6]2O[6]2O)(C[6a]C[6a]H)2	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a]){2|C<4>,2|H<1>,6|C<3>}	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,7|C<3>}	C[6a](Si[6,6]N[6]2O[6]2O)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	90.7596	0.494	2	90.7596	0.244	2	90.7596	0.244	2	90.7596	0.244	2	90.7596	0.244	2	90.7596	0.244	2
855	622	790	0:SPD6_SP-NON_SP2	Si[6,6]	O[6]	Cl	4:4:2:2:1:1:	6:3:	6:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:Cl-1:	Si[6,6]-6:C[6]-3:	Si[6,6]-6:	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C)	Cl(Si[6,6]C[6]2O[6]2Cl)	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2{2|N<2>,6|C<4>}	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	Cl(Si[6,6]C[6]2O[6]2Cl)	133.6848	50.480	4	133.6848	2548.262	4	133.6848	2548.262	4	133.6848	2548.262	4	133.6848	2548.262	4	133.6848	2548.262	4
855	622	856	0:SPD6_SP2_SP2	Si[3x6]	O[6]	N[6]	3:3:3:2:2:2:	3:6:	3:6:4:	N[6]-3:N[6]-3:N[6]-3:O[6]-2:O[6]-2:O[6]-2:	C[6,6a]-3:Si[3x6]-6:	C[6,6a]-3:Si[3x6]-6:C-4:	Si[3x6](N[6]C[6,6a]C)3(O[6]C[6,6a])3	O[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]3O[6]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH)	Si[3x6](N[6]C[6,6a]C)3(O[6]C[6,6a])3{9|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]3O[6]2){1|H<1>,3|C<4>,7|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH){1|H<1>,2|C<4>,7|C<3>}	103.2729	35.661	6	103.2729	1271.702	6	103.2729	1271.702	6	103.2729	1271.702	6	103.2729	1271.702	6	97.7849	756.963	10
855	622	856	0:SPD6_SP2_SP2	Si[6,6]	O[6]	N[6]	3:2:2:3:3:2:	6:3:	6:3:4:	C[6a]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:O-2:	Si[6,6]-6:C[6,6a]-3:	Si[6,6]-6:C[6]-3:C-4:	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a])	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3)	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a]){2|C<4>,2|H<1>,6|C<3>}	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,7|C<3>}	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3){1|C<4>,6|C<3>}	90.3037	0.347	2	90.3037	0.121	2	90.3037	0.121	2	90.3037	0.121	2	89.5530	0.798	4	97.7849	756.963	10
855	622	856	0:SPD6_SP2_SP2	Si[6,6]	O[6]	N[6]	3:3:2:2:2:2:	6:3:	6:3:4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6]-3:	Si[6,6]-6:C[6]-3:C-4:	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	88.8024	0.141	2	88.8024	0.020	2	88.8024	0.020	2	88.8024	0.020	2	89.5530	0.798	4	97.7849	756.963	10
855	622	856	6:SPD6_SP2_SP2	Si[3x6]	O[6]	N[6]	3:3:3:2:2:2:	3:6:	3:6:4:	N[6]-3:N[6]-3:N[6]-3:O[6]-2:O[6]-2:O[6]-2:	C[6,6a]-3:Si[3x6]-6:	C[6,6a]-3:Si[3x6]-6:C-4:	Si[3x6](N[6]C[6,6a]C)3(O[6]C[6,6a])3	O[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]3O[6]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH)	Si[3x6](N[6]C[6,6a]C)3(O[6]C[6,6a])3{9|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]3O[6]2){1|H<1>,3|C<4>,7|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH){1|H<1>,2|C<4>,7|C<3>}	91.3448	1.743	3	91.3448	3.037	3	91.3448	3.037	3	91.3448	3.037	3	91.3448	3.037	3	90.4428	2.099	13
855	622	856	6:SPD6_SP2_SP2	Si[6,6]	O[6]	N[6]	3:2:2:3:3:2:	6:3:	6:3:4:	C[6a]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:O-2:	Si[6,6]-6:C[6,6a]-3:	Si[6,6]-6:C[6]-3:C-4:	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a])	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3)	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a]){2|C<4>,2|H<1>,6|C<3>}	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,7|C<3>}	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3){1|C<4>,6|C<3>}	89.6607	1.083	2	89.6607	1.173	2	89.6607	1.173	2	89.6607	1.173	2	90.1722	1.771	10	90.4428	2.099	13
855	622	856	6:SPD6_SP2_SP2	Si[6,6]	O[6]	N[6]	3:3:2:2:2:2:	6:3:	6:3:3:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6]-3:	Si[6,6]-6:C[6a]-3:C[6]-3:	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2{4|C<4>,6|C<3>}	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,5|C<3>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	90.0000	1.574	4	90.0000	2.478	4	90.0000	2.478	4	90.0000	2.478	4	90.1722	1.771	10	90.4428	2.099	13
855	622	856	6:SPD6_SP2_SP2	Si[6,6]	O[6]	N[6]	3:3:2:2:2:2:	6:3:	6:3:4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6]-3:	Si[6,6]-6:C[6]-3:C-4:	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH){1|C<4>,1|H<1>,3|C<3>}	90.0000	2.093	2	90.0000	4.383	2	90.6002	1.985	4	90.6002	1.985	4	90.1722	1.771	10	90.4428	2.099	13
855	622	856	6:SPD6_SP2_SP2	Si[6,6]	O[6]	N[6]	3:3:2:2:2:2:	6:3:	6:3:4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6]-3:	Si[6,6]-6:C[6]-3:C-4:	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	91.2005	0.361	2	91.2005	0.130	2	90.6002	1.985	4	90.6002	1.985	4	90.1722	1.771	10	90.4428	2.099	13
855	622	893	0:SPD6_SP2_SP2	Si[6,6]	O[6]	O	3:2:2:3:3:2:	6:3:	6:3:	C[6a]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:O-2:	Si[6,6]-6:C[6,6a]-3:	Si[6,6]-6:C[6a]-3:	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a])	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	O(Si[6,6]C[6a]N[6]2O[6]2)(C[6a]C[6a]2)	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a]){2|C<4>,2|H<1>,6|C<3>}	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,7|C<3>}	O(Si[6,6]C[6a]N[6]2O[6]2)(C[6a]C[6a]2)	89.2571	1.705	2	89.2571	2.908	2	89.2571	2.908	2	89.2571	2.908	2	89.2571	2.908	2	89.2571	2.908	2
855	622	941	0:SPD6_SP2_SP2	Si[6,6]	O[6]	N	3:3:2:2:2:2:	6:3:	6:2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6]-3:	Si[6,6]-6:C-2:	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	N(Si[6,6]N[6]2O[6]2N)(CO)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	N(Si[6,6]N[6]2O[6]2N)(CO)	90.0001	1.379	4	90.0001	1.901	4	90.0000	1.973	10	90.0000	1.973	10	90.0000	1.973	10	90.0000	1.973	10
855	622	941	0:SPD6_SP2_SP2	Si[6,6]	O[6]	N	3:3:2:2:2:2:	6:3:	6:2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6]-3:	Si[6,6]-6:C-2:	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	N(Si[6,6]N[6]2O[6]2N)(CS)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	N(Si[6,6]N[6]2O[6]2N)(CS)	90.0000	2.452	2	90.0000	6.011	2	90.0000	1.973	10	90.0000	1.973	10	90.0000	1.973	10	90.0000	1.973	10
855	622	941	0:SPD6_SP2_SP2	Si[6,6]	O[6]	N	3:3:2:2:2:2:	6:3:	6:2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6]-3:	Si[6,6]-6:C-2:	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	N(Si[6,6]N[6]2O[6]2N)(CO)	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2{4|C<4>,6|C<3>}	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,5|C<3>}	N(Si[6,6]N[6]2O[6]2N)(CO)	90.0000	1.719	2	90.0000	2.955	2	90.0000	1.973	10	90.0000	1.973	10	90.0000	1.973	10	90.0000	1.973	10
855	622	941	0:SPD6_SP2_SP2	Si[6,6]	O[6]	N	3:3:2:2:2:2:	6:3:	6:2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6]-3:	Si[6,6]-6:C-2:	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	N(Si[6,6]N[6]2O[6]2N)(CS)	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2{4|C<4>,6|C<3>}	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,5|C<3>}	N(Si[6,6]N[6]2O[6]2N)(CS)	90.0000	1.756	2	90.0000	3.083	2	90.0000	1.973	10	90.0000	1.973	10	90.0000	1.973	10	90.0000	1.973	10
855	643	856	0:SPD6_SP2_SP2	Si[6,6]	C[6a]	N[6]	3:2:2:3:3:2:	6:3:3:	6:3:4:	C[6a]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:O-2:	Si[6,6]-6:C[6a]-3:C[6a]-3:	Si[6,6]-6:C[6]-3:C-4:	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a])	C[6a](Si[6,6]N[6]2O[6]2O)(C[6a]C[6a]H)2	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3)	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a]){2|C<4>,2|H<1>,6|C<3>}	C[6a](Si[6,6]N[6]2O[6]2O)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3){1|C<4>,6|C<3>}	91.3444	0.568	2	91.3444	0.322	2	91.3444	0.322	2	91.3444	0.322	2	91.3444	0.322	2	91.3444	0.322	2
855	643	893	0:SPD6_SP2_SP2	Si[6,6]	C[6a]	O	3:2:2:3:3:2:	6:3:3:	6:3:	C[6a]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:O-2:	Si[6,6]-6:C[6a]-3:C[6a]-3:	Si[6,6]-6:C[6a]-3:	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a])	C[6a](Si[6,6]N[6]2O[6]2O)(C[6a]C[6a]H)2	O(Si[6,6]C[6a]N[6]2O[6]2)(C[6a]C[6a]2)	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a]){2|C<4>,2|H<1>,6|C<3>}	C[6a](Si[6,6]N[6]2O[6]2O)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	O(Si[6,6]C[6a]N[6]2O[6]2)(C[6a]C[6a]2)	176.2220	0.000	1	176.2220	0.000	1	176.2220	0.000	1	176.2220	0.000	1	176.2220	0.000	1	176.2220	0.000	1
855	790	790	0:SPD6_SP-NON_SP-NON	Si[4x6]	Cl	Cl	3:3:3:3:1:1:	6:	6:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Cl-1:Cl-1:	Si[4x6]-6:	Si[4x6]-6:	Si[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2	Cl(Si[4x6]N[5a,6,6]4Cl)	Cl(Si[4x6]N[5a,6,6]4Cl)	Si[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2{4|N<2>,8|C<3>}	Cl(Si[4x6]N[5a,6,6]4Cl)	Cl(Si[4x6]N[5a,6,6]4Cl)	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	135.5143	3957.955	2
855	790	790	0:SPD6_SP-NON_SP-NON	Si[6,6]	Cl	Cl	4:4:2:2:1:1:	6:	6:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:Cl-1:	Si[6,6]-6:	Si[6,6]-6:	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2	Cl(Si[6,6]C[6]2O[6]2Cl)	Cl(Si[6,6]C[6]2O[6]2Cl)	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2{2|N<2>,6|C<4>}	Cl(Si[6,6]C[6]2O[6]2Cl)	Cl(Si[6,6]C[6]2O[6]2Cl)	91.0286	0.000	1	91.0286	0.000	1	91.0286	0.000	1	91.0286	0.000	1	91.0286	0.000	1	135.5143	3957.955	2
855	790	813	0:SPD6_SP-NON_SP2	Si[4x6]	Cl	N[5a,6,6]	3:3:3:3:1:1:	6:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Cl-1:Cl-1:	Si[4x6]-6:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2	Cl(Si[4x6]N[5a,6,6]4Cl)	N[5a,6,6](Si[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2	Si[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2{4|N<2>,8|C<3>}	Cl(Si[4x6]N[5a,6,6]4Cl)	N[5a,6,6](Si[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	90.0000	0.711	4	90.0000	0.506	4	90.0000	0.506	4	90.0000	0.506	4	90.0000	0.506	4	90.0000	0.506	4
855	813	813	0:SPD6_SP2_SP2	Si[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	178.4330	0.071	2	178.4330	0.005	2	178.8853	0.659	19	178.8853	0.659	19	178.9409	0.687	20	178.9409	0.687	20
855	813	813	0:SPD6_SP2_SP2	Si[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2{4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	179.7647	0.297	3	179.7647	0.088	3	178.8853	0.659	19	178.8853	0.659	19	178.9409	0.687	20	178.9409	0.687	20
855	813	813	0:SPD6_SP2_SP2	Si[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi)	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi){4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	178.7614	0.820	14	178.7614	0.673	14	178.8853	0.659	19	178.8853	0.659	19	178.9409	0.687	20	178.9409	0.687	20
855	813	813	0:SPD6_SP2_SP2	Si[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:3:3:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O[5]-3:O[5]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(O[5]C[5]2)2	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2	Si[4x6](N[5a,6,6]C[5a,6]2)4(O[5]C[5]2)2{12|C<3>,4|C<4>,8|H<1>}	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2{2|H<1>,4|C<4>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2{2|H<1>,4|C<4>,8|C<3>}	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	178.9409	0.687	20	178.9409	0.687	20
855	813	813	6:SPD6_SP2_SP2	Si[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:1:1:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Cl-1:Cl-1:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2	N[5a,6,6](Si[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](Si[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2	Si[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2{4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	120.0000	51.962	3	120.0000	2700.002	3	120.0000	2700.002	3	120.0000	2700.002	3	104.3388	1099.998	69	104.3388	1099.998	69
855	813	813	6:SPD6_SP2_SP2	Si[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	111.4305	39.279	21	111.4305	1542.806	21	102.8510	1006.853	63	102.8510	1006.853	63	104.3388	1099.998	69	104.3388	1099.998	69
855	813	813	6:SPD6_SP2_SP2	Si[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2{4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	107.9582	37.862	10	107.9582	1433.511	10	102.8510	1006.853	63	102.8510	1006.853	63	104.3388	1099.998	69	104.3388	1099.998	69
855	813	813	6:SPD6_SP2_SP2	Si[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi)2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi)2{4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	120.0000	51.962	3	120.0000	2700.020	3	102.8510	1006.853	63	102.8510	1006.853	63	104.3388	1099.998	69	104.3388	1099.998	69
855	813	813	6:SPD6_SP2_SP2	Si[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi)	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi){4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	89.9998	0.283	26	89.9998	0.080	26	102.8510	1006.853	63	102.8510	1006.853	63	104.3388	1099.998	69	104.3388	1099.998	69
855	813	813	6:SPD6_SP2_SP2	Si[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])2{4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	120.0000	51.962	3	120.0000	2700.001	3	102.8510	1006.853	63	102.8510	1006.853	63	104.3388	1099.998	69	104.3388	1099.998	69
855	813	813	6:SPD6_SP2_SP2	Si[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:3:3:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O[5]-3:O[5]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(O[5]C[5]2)2	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2	Si[4x6](N[5a,6,6]C[5a,6]2)4(O[5]C[5]2)2{12|C<3>,4|C<4>,8|H<1>}	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2{2|H<1>,4|C<4>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2{2|H<1>,4|C<4>,8|C<3>}	119.9203	51.824	3	119.9203	2685.693	3	119.9203	2685.693	3	119.9203	2685.693	3	104.3388	1099.998	69	104.3388	1099.998	69
855	813	893	0:SPD6_SP2_SP2	Si[4x6]	N[5a,6,6]	O	3:3:3:3:2:2:	6:3:3:	6:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	O(Si[4x6]N[5a,6,6]4O)(CCO)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(CCO)	90.0000	3.329	4	90.0000	11.082	4	90.0000	12.775	20	90.0006	8.821	36	90.0006	8.821	36	90.0006	8.821	36
855	813	893	0:SPD6_SP2_SP2	Si[4x6]	N[5a,6,6]	O	3:3:3:3:2:2:	6:3:3:	6:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	O(Si[4x6]N[5a,6,6]4O)(CC[6a]O)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(CC[6a]O)	90.0000	3.737	16	90.0000	13.965	16	90.0000	12.775	20	90.0006	8.821	36	90.0006	8.821	36	90.0006	8.821	36
855	813	893	0:SPD6_SP2_SP2	Si[4x6]	N[5a,6,6]	O	3:3:3:3:2:2:	6:3:3:	6:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C[6a]-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2{4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	90.0015	2.098	16	90.0015	4.400	16	90.0015	4.400	16	90.0006	8.821	36	90.0006	8.821	36	90.0006	8.821	36
855	813	893	0:SPD6_SP2_SP3	Si[4x6]	N[5a,6,6]	O	3:3:3:3:2:2:	6:3:3:	6:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C-4:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	O(Si[4x6]N[5a,6,6]4O)(CC[5]CC)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(CC[5]CC)	89.9940	4.168	8	89.9940	17.369	8	89.9960	12.546	12	89.6244	3.926	44	89.9954	2.712	75	89.9954	2.712	75
855	813	893	0:SPD6_SP2_SP3	Si[4x6]	N[5a,6,6]	O	3:3:3:3:2:2:	6:3:3:	6:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C-4:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	O(Si[4x6]N[5a,6,6]4O)(CH3)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(CH3)	90.0000	2.340	4	90.0000	5.473	4	89.9960	12.546	12	89.6244	3.926	44	89.9954	2.712	75	89.9954	2.712	75
855	813	893	0:SPD6_SP2_SP3	Si[4x6]	N[5a,6,6]	O	3:3:3:3:2:2:	6:3:3:	6:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:Si-4:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi)2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	O(Si[4x6]N[5a,6,6]4O)(SiC3)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi)2{4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(SiC3)	90.0000	0.749	4	90.0000	0.561	4	89.4851	0.921	32	89.6244	3.926	44	89.9954	2.712	75	89.9954	2.712	75
855	813	893	0:SPD6_SP2_SP3	Si[4x6]	N[5a,6,6]	O	3:3:3:3:2:2:	6:3:3:	6:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:Si-4:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi)	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	O(Si[4x6]N[5a,6,6]4O)(SiC3)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi){4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(SiC3)	89.5367	0.849	24	89.5367	0.720	24	89.4851	0.921	32	89.6244	3.926	44	89.9954	2.712	75	89.9954	2.712	75
855	813	893	0:SPD6_SP2_SP3	Si[4x6]	N[5a,6,6]	O	3:3:3:3:2:2:	6:3:3:	6:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:Si-4:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi)	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	O(Si[4x6]N[5a,6,6]4O)(SiCOO)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi){4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(SiCOO)	88.6605	1.466	4	88.6605	2.148	4	89.4851	0.921	32	89.6244	3.926	44	89.9954	2.712	75	89.9954	2.712	75
855	813	893	0:SPD6_SP2_SP3	Si[4x6]	N[5a,6,6]	O	3:3:3:3:2:2:	6:3:3:	6:6:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:Si[4x6]-6:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi)	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	O(Si[4x6]N[5a,6,6]4O)2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi){4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	O(Si[4x6]N[5a,6,6]4O)2	90.5993	0.763	27	90.5993	0.583	27	90.5219	0.575	31	90.5219	0.575	31	89.9954	2.712	75	89.9954	2.712	75
855	813	893	0:SPD6_SP2_SP3	Si[4x6]	N[5a,6,6]	O	3:3:3:3:2:2:	6:3:3:	6:6:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:Si[4x6]-6:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	O(Si[4x6]N[5a,6,6]4O)2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])2{4|N<2>,8|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	O(Si[4x6]N[5a,6,6]4O)2	90.0000	0.535	4	90.0000	0.286	4	90.5219	0.575	31	90.5219	0.575	31	89.9954	2.712	75	89.9954	2.712	75
855	813	916	0:SPD6_SP2_SP3	Si[4x6]	N[5a,6,6]	O[5]	3:3:3:3:3:3:	6:3:3:	6:4:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O[5]-3:O[5]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Si[4x6]-6:C[5]-4:C[5]-4:	Si[4x6](N[5a,6,6]C[5a,6]2)4(O[5]C[5]2)2	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2	O[5](Si[4x6]N[5a,6,6]4O[5])(C[5]C[5]HH)2	Si[4x6](N[5a,6,6]C[5a,6]2)4(O[5]C[5]2)2{12|C<3>,4|C<4>,8|H<1>}	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2{2|H<1>,4|C<4>,8|C<3>}	O[5](Si[4x6]N[5a,6,6]4O[5])(C[5]C[5]HH)2{2|C<4>,4|H<1>,8|C<3>}	90.0002	0.246	4	90.0002	0.060	4	90.0002	0.060	4	90.0002	0.060	4	90.0002	0.060	4	90.0002	0.060	4
855	856	856	0:SPD6_SP2_SP2	Si[3x6]	N[6]	N[6]	3:3:3:2:2:2:	3:6:4:	3:6:4:	N[6]-3:N[6]-3:N[6]-3:O[6]-2:O[6]-2:O[6]-2:	C[6,6a]-3:Si[3x6]-6:C-4:	C[6,6a]-3:Si[3x6]-6:C-4:	Si[3x6](N[6]C[6,6a]C)3(O[6]C[6,6a])3	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH)	Si[3x6](N[6]C[6,6a]C)3(O[6]C[6,6a])3{9|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH){1|H<1>,2|C<4>,7|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH){1|H<1>,2|C<4>,7|C<3>}	119.9099	46.902	3	119.9099	2199.807	3	119.9099	2199.807	3	119.9099	2199.807	3	119.9099	2199.807	3	143.2689	2123.692	5
855	856	856	0:SPD6_SP2_SP2	Si[6,6]	N[6]	N[6]	3:2:2:3:3:2:	6:3:4:	6:3:4:	C[6a]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:O-2:	Si[6,6]-6:C[6]-3:C-4:	Si[6,6]-6:C[6]-3:C-4:	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a])	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3)	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3)	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a]){2|C<4>,2|H<1>,6|C<3>}	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3){1|C<4>,6|C<3>}	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3){1|C<4>,6|C<3>}	177.1210	0.000	1	177.1210	0.000	1	177.1210	0.000	1	177.1210	0.000	1	178.3075	2.816	2	143.2689	2123.692	5
855	856	856	0:SPD6_SP2_SP2	Si[6,6]	N[6]	N[6]	3:3:2:2:2:2:	6:3:4:	6:3:4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6]-3:C-4:	Si[6,6]-6:C[6]-3:C-4:	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH)	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	179.4940	0.000	1	179.4940	0.000	1	179.4940	0.000	1	179.4940	0.000	1	178.3075	2.816	2	143.2689	2123.692	5
855	856	856	6:SPD6_SP2_SP2	Si[6,6]	N[6]	N[6]	3:3:2:2:2:2:	6:3:3:	6:3:3:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6a]-3:C[6]-3:	Si[6,6]-6:C[6a]-3:C[6]-3:	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2{4|C<4>,6|C<3>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	179.9995	0.001	2	179.9995	0.000	2	179.9995	0.000	2	179.9995	0.000	2	179.9997	0.000	3	179.9997	0.000	3
855	856	856	6:SPD6_SP2_SP2	Si[6,6]	N[6]	N[6]	3:3:2:2:2:2:	6:3:4:	6:3:4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6]-3:C-4:	Si[6,6]-6:C[6]-3:C-4:	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH)	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH){1|C<4>,1|H<1>,3|C<3>}	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	179.9997	0.000	3	179.9997	0.000	3
855	856	893	0:SPD6_SP2_SP2	Si[6,6]	N[6]	O	3:2:2:3:3:2:	6:3:4:	6:3:	C[6a]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:O-2:	Si[6,6]-6:C[6]-3:C-4:	Si[6,6]-6:C[6a]-3:	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a])	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3)	O(Si[6,6]C[6a]N[6]2O[6]2)(C[6a]C[6a]2)	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a]){2|C<4>,2|H<1>,6|C<3>}	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3){1|C<4>,6|C<3>}	O(Si[6,6]C[6a]N[6]2O[6]2)(C[6a]C[6a]2)	88.6420	4.288	2	88.6420	18.388	2	88.6420	18.388	2	88.6420	18.388	2	88.6420	18.388	2	88.6420	18.388	2
855	856	941	0:SPD6_SP2_SP2	Si[6,6]	N[6]	N	3:3:2:2:2:2:	6:3:3:	6:2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6a]-3:C[6]-3:	Si[6,6]-6:C-2:	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C)	N(Si[6,6]N[6]2O[6]2N)(CO)	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2{4|C<4>,6|C<3>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	N(Si[6,6]N[6]2O[6]2N)(CO)	90.0000	0.152	2	90.0000	0.023	2	90.0000	0.422	4	90.0000	0.422	4	89.9999	0.433	10	89.9999	0.433	10
855	856	941	0:SPD6_SP2_SP2	Si[6,6]	N[6]	N	3:3:2:2:2:2:	6:3:3:	6:2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6a]-3:C[6]-3:	Si[6,6]-6:C-2:	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C)	N(Si[6,6]N[6]2O[6]2N)(CS)	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2{4|C<4>,6|C<3>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	N(Si[6,6]N[6]2O[6]2N)(CS)	90.0000	1.114	2	90.0000	1.242	2	90.0000	0.422	4	90.0000	0.422	4	89.9999	0.433	10	89.9999	0.433	10
855	856	941	0:SPD6_SP2_SP2	Si[6,6]	N[6]	N	3:3:2:2:2:2:	6:3:4:	6:2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6]-3:C-4:	Si[6,6]-6:C-2:	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH)	N(Si[6,6]N[6]2O[6]2N)(CS)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N(Si[6,6]N[6]2O[6]2N)(CS)	90.0000	0.787	2	90.0000	0.620	2	89.9999	0.526	6	89.9999	0.526	6	89.9999	0.433	10	89.9999	0.433	10
855	856	941	0:SPD6_SP2_SP2	Si[6,6]	N[6]	N	3:3:2:2:2:2:	6:3:4:	6:2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C[6]-3:C-4:	Si[6,6]-6:C-2:	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH)	N(Si[6,6]N[6]2O[6]2N)(CO)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	N(Si[6,6]N[6]2O[6]2N)(CO)	89.9999	0.819	4	89.9999	0.670	4	89.9999	0.526	6	89.9999	0.526	6	89.9999	0.433	10	89.9999	0.433	10
855	893	893	0:SPD6_SP2_SP2	Si[4x6]	O	O	3:3:3:3:2:2:	6:3:	6:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C-3:	Si[4x6]-6:C-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	O(Si[4x6]N[5a,6,6]4O)(CCO)	O(Si[4x6]N[5a,6,6]4O)(CCO)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(CCO)	O(Si[4x6]N[5a,6,6]4O)(CCO)	179.9990	0.000	1	179.9990	0.000	1	179.9995	0.000	4	178.9474	6.804	7	178.9474	6.804	7	178.9474	6.804	7
855	893	893	0:SPD6_SP2_SP2	Si[4x6]	O	O	3:3:3:3:2:2:	6:3:	6:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C-3:	Si[4x6]-6:C-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	O(Si[4x6]N[5a,6,6]4O)(CC[6a]O)	O(Si[4x6]N[5a,6,6]4O)(CC[6a]O)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(CC[6a]O)	O(Si[4x6]N[5a,6,6]4O)(CC[6a]O)	179.9997	0.001	3	179.9997	0.000	3	179.9995	0.000	4	178.9474	6.804	7	178.9474	6.804	7	178.9474	6.804	7
855	893	893	0:SPD6_SP2_SP2	Si[4x6]	O	O	3:3:3:3:2:2:	6:3:	6:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C[6a]-3:	Si[4x6]-6:C[6a]-3:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2{4|N<2>,8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	177.5447	3.905	3	177.5447	15.247	3	177.5447	15.247	3	178.9474	6.804	7	178.9474	6.804	7	178.9474	6.804	7
855	893	893	0:SPD6_SP3_SP3	Si[4x6]	O	O	3:3:3:3:2:2:	6:4:	6:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C-4:	Si[4x6]-6:C-4:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	O(Si[4x6]N[5a,6,6]4O)(CC[5]CC)	O(Si[4x6]N[5a,6,6]4O)(CC[5]CC)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(CC[5]CC)	O(Si[4x6]N[5a,6,6]4O)(CC[5]CC)	175.4280	0.000	1	175.4280	0.000	1	177.7140	10.452	2	178.4760	6.968	3	178.6678	1.825	11	178.6678	1.825	11
855	893	893	0:SPD6_SP3_SP3	Si[4x6]	O	O	3:3:3:3:2:2:	6:4:	6:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:C-4:	Si[4x6]-6:C-4:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	O(Si[4x6]N[5a,6,6]4O)(CH3)	O(Si[4x6]N[5a,6,6]4O)(CH3)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(CH3)	O(Si[4x6]N[5a,6,6]4O)(CH3)	180.0000	0.000	1	180.0000	0.000	1	177.7140	10.452	2	178.4760	6.968	3	178.6678	1.825	11	178.6678	1.825	11
855	893	893	0:SPD6_SP3_SP3	Si[4x6]	O	O	3:3:3:3:2:2:	6:4:	6:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:Si-4:	Si[4x6]-6:Si-4:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi)2	O(Si[4x6]N[5a,6,6]4O)(SiC3)	O(Si[4x6]N[5a,6,6]4O)(SiC3)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi)2{4|N<2>,8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(SiC3)	O(Si[4x6]N[5a,6,6]4O)(SiC3)	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	178.4760	6.968	3	178.6678	1.825	11	178.6678	1.825	11
855	893	893	0:SPD6_SP3_SP3	Si[4x6]	O	O	3:3:3:3:2:2:	6:4:	6:6:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:Si-4:	Si[4x6]-6:Si[4x6]-6:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi)	O(Si[4x6]N[5a,6,6]4O)(SiC3)	O(Si[4x6]N[5a,6,6]4O)2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi){4|N<2>,8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(SiC3)	O(Si[4x6]N[5a,6,6]4O)2	178.5458	0.684	6	178.5458	0.467	6	178.5597	0.391	7	178.5597	0.391	7	178.6678	1.825	11	178.6678	1.825	11
855	893	893	0:SPD6_SP3_SP3	Si[4x6]	O	O	3:3:3:3:2:2:	6:4:	6:6:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:Si-4:	Si[4x6]-6:Si[4x6]-6:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi)	O(Si[4x6]N[5a,6,6]4O)(SiCOO)	O(Si[4x6]N[5a,6,6]4O)2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi){4|N<2>,8|C<3>}	O(Si[4x6]N[5a,6,6]4O)(SiCOO)	O(Si[4x6]N[5a,6,6]4O)2	178.6430	0.000	1	178.6430	0.000	1	178.5597	0.391	7	178.5597	0.391	7	178.6678	1.825	11	178.6678	1.825	11
855	893	893	0:SPD6_SP3_SP3	Si[4x6]	O	O	3:3:3:3:2:2:	6:6:	6:6:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	Si[4x6]-6:Si[4x6]-6:	Si[4x6]-6:Si[4x6]-6:	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])2	O(Si[4x6]N[5a,6,6]4O)2	O(Si[4x6]N[5a,6,6]4O)2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])2{4|N<2>,8|C<3>}	O(Si[4x6]N[5a,6,6]4O)2	O(Si[4x6]N[5a,6,6]4O)2	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	178.6678	1.825	11	178.6678	1.825	11
855	916	916	0:SPD6_SP3_SP3	Si[4x6]	O[5]	O[5]	3:3:3:3:3:3:	6:4:4:	6:4:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O[5]-3:O[5]-3:	Si[4x6]-6:C[5]-4:C[5]-4:	Si[4x6]-6:C[5]-4:C[5]-4:	Si[4x6](N[5a,6,6]C[5a,6]2)4(O[5]C[5]2)2	O[5](Si[4x6]N[5a,6,6]4O[5])(C[5]C[5]HH)2	O[5](Si[4x6]N[5a,6,6]4O[5])(C[5]C[5]HH)2	Si[4x6](N[5a,6,6]C[5a,6]2)4(O[5]C[5]2)2{12|C<3>,4|C<4>,8|H<1>}	O[5](Si[4x6]N[5a,6,6]4O[5])(C[5]C[5]HH)2{2|C<4>,4|H<1>,8|C<3>}	O[5](Si[4x6]N[5a,6,6]4O[5])(C[5]C[5]HH)2{2|C<4>,4|H<1>,8|C<3>}	179.5320	0.000	1	179.5320	0.000	1	179.5320	0.000	1	179.5320	0.000	1	179.5320	0.000	1	179.5320	0.000	1
855	941	941	0:SPD6_SP2_SP2	Si[6,6]	N	N	3:3:2:2:2:2:	6:2:	6:2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C-2:	Si[6,6]-6:C-2:	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	N(Si[6,6]N[6]2O[6]2N)(CO)	N(Si[6,6]N[6]2O[6]2N)(CO)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	N(Si[6,6]N[6]2O[6]2N)(CO)	N(Si[6,6]N[6]2O[6]2N)(CO)	179.7780	0.000	1	179.7780	0.000	1	179.9445	0.012	4	179.9445	0.012	4	179.9445	0.012	4	179.9445	0.012	4
855	941	941	0:SPD6_SP2_SP2	Si[6,6]	N	N	3:3:2:2:2:2:	6:2:	6:2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C-2:	Si[6,6]-6:C-2:	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	N(Si[6,6]N[6]2O[6]2N)(CS)	N(Si[6,6]N[6]2O[6]2N)(CS)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	N(Si[6,6]N[6]2O[6]2N)(CS)	N(Si[6,6]N[6]2O[6]2N)(CS)	180.0000	0.000	1	180.0000	0.000	1	179.9445	0.012	4	179.9445	0.012	4	179.9445	0.012	4	179.9445	0.012	4
855	941	941	0:SPD6_SP2_SP2	Si[6,6]	N	N	3:3:2:2:2:2:	6:2:	6:2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C-2:	Si[6,6]-6:C-2:	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2	N(Si[6,6]N[6]2O[6]2N)(CO)	N(Si[6,6]N[6]2O[6]2N)(CO)	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2{4|C<4>,6|C<3>}	N(Si[6,6]N[6]2O[6]2N)(CO)	N(Si[6,6]N[6]2O[6]2N)(CO)	180.0000	0.000	1	180.0000	0.000	1	179.9445	0.012	4	179.9445	0.012	4	179.9445	0.012	4	179.9445	0.012	4
855	941	941	0:SPD6_SP2_SP2	Si[6,6]	N	N	3:3:2:2:2:2:	6:2:	6:2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[6,6]-6:C-2:	Si[6,6]-6:C-2:	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2	N(Si[6,6]N[6]2O[6]2N)(CS)	N(Si[6,6]N[6]2O[6]2N)(CS)	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2{4|C<4>,6|C<3>}	N(Si[6,6]N[6]2O[6]2N)(CS)	N(Si[6,6]N[6]2O[6]2N)(CS)	180.0000	0.000	1	180.0000	0.000	1	179.9445	0.012	4	179.9445	0.012	4	179.9445	0.012	4	179.9445	0.012	4
856	2	466	0:SP2_SP2_SP3	N[6]	B[5]	C[6]	3:4:3:	3:2:2:	3:3:1:1:	C[6,6a]-3:C[6]-4:B[5]-3:	N[6]-3:O[5]-2:O[5]-2:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(B[5]O[5]2)	B[5](N[6]C[6,6a]C[6])(O[5]C[5])2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]B[5])(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(B[5]O[5]2){1|H<1>,2|C<4>,4|C<3>}	B[5](N[6]C[6,6a]C[6])(O[5]C[5])2{2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]B[5])(H)2{1|H<1>,2|O<2>,4|C<3>}	120.1105	0.974	2	120.1105	0.948	2	120.1105	0.948	2	120.1105	0.948	2	120.8406	0.850	5	120.8406	0.850	5
856	2	466	0:SP2_SP2_SP3	N[6]	B[5]	C[6]	4:3:3:	3:2:2:	3:3:1:1:	C[6]-4:B[5]-3:C[6]-3:	N[6]-3:O[5]-2:O[5]-2:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(B[5]O[5]2)(C[6]C[6]H)	B[5](N[6]C[6]2)(O[5]C[5])2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)2	N[6](C[6]C[6,6a]HH)(B[5]O[5]2)(C[6]C[6]H){1|B<3>,2|C<3>,2|C<4>}	B[5](N[6]C[6]2)(O[5]C[5])2{2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)2{2|H<1>,2|O<2>,3|C<3>}	120.7200	0.000	1	120.7200	0.000	1	120.7200	0.000	1	120.7200	0.000	1	120.8406	0.850	5	120.8406	0.850	5
856	2	466	0:SP2_SP2_SP3	N[6]	B[5]	C[6]	4:3:3:	3:2:2:	3:4:3:1:	C[6]-4:B[5]-3:C[6]-3:	N[6]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6]H)(B[5]O[5]2)(C[6]C[6]H)	B[5](N[6]C[6]2)(O[5]C[5])2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H)	N[6](C[6]C[6,6a]C[6]H)(B[5]O[5]2)(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	B[5](N[6]C[6]2)(O[5]C[5])2{2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H){1|B<3>,2|H<1>,2|O<2>,6|C<3>}	121.6310	0.351	2	121.6310	0.123	2	121.6310	0.123	2	121.6310	0.123	2	120.8406	0.850	5	120.8406	0.850	5
856	2	643	0:SP2_SP2_SP2	N[6]	B[5]	C[6,6a]	3:4:3:	3:2:2:	3:3:3:	C[6,6a]-3:C[6]-4:B[5]-3:	N[6]-3:O[5]-2:O[5]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(B[5]O[5]2)	B[5](N[6]C[6,6a]C[6])(O[5]C[5])2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(B[5]O[5]2){1|H<1>,2|C<4>,4|C<3>}	B[5](N[6]C[6,6a]C[6])(O[5]C[5])2{2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(C[6a]C[6a]H){2|O<2>,3|C<3>,4|H<1>}	125.3960	1.078	2	125.3960	1.161	2	125.3960	1.161	2	125.3960	1.161	2	125.3960	1.161	2	125.3960	1.161	2
856	2	762	0:SP2_SP2_SP2	N[6]	B[5]	C[6]	3:3:3:	3:2:2:	3:3:1:	B[5]-3:C[6]-3:C[6]-3:	N[6]-3:O[5]-2:O[5]-2:	N[6]-3:C[6]-3:H-1:	N[6](B[5]O[5]2)(C[6]C[6]H)2	B[5](N[6]C[6]2)(O[5]C[5])2	C[6](N[6]B[5]C[6])(C[6]C[6]Cl)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)2{2|Cl<1>,3|C<4>}	B[5](N[6]C[6]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6](N[6]B[5]C[6])(C[6]C[6]Cl)(H){1|C<3>,2|O<2>,3|H<1>}	121.2825	0.834	4	121.2825	0.696	4	121.9425	0.816	8	121.7393	1.921	12	121.9634	2.046	16	121.9634	2.046	16
856	2	762	0:SP2_SP2_SP2	N[6]	B[5]	C[6]	3:3:3:	3:2:2:	3:3:1:	B[5]-3:C[6]-3:C[6]-3:	N[6]-3:O[5]-2:O[5]-2:	N[6]-3:C[6]-3:H-1:	N[6](B[5]O[5]2)(C[6]C[6]H)2	B[5](N[6]C[6]2)(O[5]C[5])2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)2{1|C<3>,2|C<4>,2|H<1>}	B[5](N[6]C[6]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|O<2>}	122.4250	0.076	2	122.4250	0.006	2	121.9425	0.816	8	121.7393	1.921	12	121.9634	2.046	16	121.9634	2.046	16
856	2	762	0:SP2_SP2_SP2	N[6]	B[5]	C[6]	3:3:3:	3:2:2:	3:3:1:	B[5]-3:C[6]-3:C[6]-3:	N[6]-3:O[5]-2:O[5]-2:	N[6]-3:C[6]-3:H-1:	N[6](B[5]O[5]2)(C[6]C[6]H)2	B[5](N[6]C[6]2)(O[5]C[5])2	C[6](N[6]B[5]C[6])(C[6]N[6]C)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	B[5](N[6]C[6]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6](N[6]B[5]C[6])(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	122.8330	0.000	1	122.8330	0.000	1	121.9425	0.816	8	121.7393	1.921	12	121.9634	2.046	16	121.9634	2.046	16
856	2	762	0:SP2_SP2_SP2	N[6]	B[5]	C[6]	3:3:3:	3:2:2:	3:3:1:	B[5]-3:C[6]-3:C[6]-3:	N[6]-3:O[5]-2:O[5]-2:	N[6]-3:C[6]-3:H-1:	N[6](B[5]O[5]2)(C[6]C[6]H)2	B[5](N[6]C[6]2)(O[5]C[5])2	C[6](N[6]B[5]C[6])(C[6]N[6]H)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	B[5](N[6]C[6]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6](N[6]B[5]C[6])(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	122.7270	0.000	1	122.7270	0.000	1	121.9425	0.816	8	121.7393	1.921	12	121.9634	2.046	16	121.9634	2.046	16
856	2	762	0:SP2_SP2_SP2	N[6]	B[5]	C[6]	3:3:3:	3:2:2:	3:3:1:	B[5]-3:C[6]-3:N[6]-3:	N[6]-3:O[5]-2:O[5]-2:	N[6]-3:C[6]-3:H-1:	N[6](B[5]O[5]2)(C[6]C[6]H)(N[6]C[6]B)	B[5](N[6]C[6]N[6])(O[5]C[5])2	C[6](N[6]B[5]N[6])(C[6]C[6]H)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)(N[6]C[6]B){1|C<3>,2|C<4>,2|H<1>}	B[5](N[6]C[6]N[6])(O[5]C[5])2{1|B<3>,1|H<1>,2|C<3>,4|C<4>}	C[6](N[6]B[5]N[6])(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	123.8840	0.000	1	123.8840	0.000	1	123.8840	0.000	1	121.7393	1.921	12	121.9634	2.046	16	121.9634	2.046	16
856	2	762	0:SP2_SP2_SP2	N[6]	B[5]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[6]-3:B[5]-3:C[6]-3:	N[6]-3:O[5]-2:O[5]-2:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(B[5]O[5]2)(C[6]C[6]H)	B[5](N[6]C[6]2)(O[5]C[5])2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)	N[6](C[6]C[6,6a]H)(B[5]O[5]2)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	B[5](N[6]C[6]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H){2|H<1>,2|O<2>,3|C<3>}	121.8000	0.000	1	121.8000	0.000	1	121.8000	0.000	1	121.7393	1.921	12	121.9634	2.046	16	121.9634	2.046	16
856	2	762	0:SP2_SP2_SP2	N[6]	B[5]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[6]-3:B[5]-3:C[6]-3:	N[6]-3:O[5]-2:O[5]-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(B[5]O[5]2)(C[6]C[6]H)	B[5](N[6]C[6]2)(O[5]C[5])2	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H)	N[6](C[6]C[6,6a]H)(B[5]O[5]2)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	B[5](N[6]C[6]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H){1|H<1>,2|C<3>,2|O<2>}	121.0790	0.000	1	121.0790	0.000	1	121.0790	0.000	1	121.7393	1.921	12	121.9634	2.046	16	121.9634	2.046	16
856	2	762	0:SP2_SP2_SP2	N[6]	B[5]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[6]-3:B[5]-3:C[6]-3:	N[6]-3:O[5]-2:O[5]-2:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6a]C[6])(B[5]O[5]2)(C[6]C[6]H)	B[5](N[6]C[6]2)(O[5]C[5])2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(B[5]O[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	B[5](N[6]C[6]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>}	118.5690	0.000	1	118.5690	0.000	1	118.5690	0.000	1	121.7393	1.921	12	121.9634	2.046	16	121.9634	2.046	16
856	2	762	0:SP2_SP2_SP2	N[6]	B[5]	C[6]	3:3:3:	3:2:2:	3:3:3:	C[6]-3:B[5]-3:C[6]-3:	N[6]-3:O[5]-2:O[5]-2:	N[6]-3:C[6a]-3:C[6]-3:	N[6](C[6]C[6a]C[6])(B[5]O[5]2)(C[6]C[6]H)	B[5](N[6]C[6]2)(O[5]C[5])2	C[6](N[6]B[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])(B[5]O[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	B[5](N[6]C[6]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6](N[6]B[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|O<2>,3|C<3>,5|H<1>}	124.9180	0.000	1	124.9180	0.000	1	124.9180	0.000	1	124.9180	0.000	1	121.9634	2.046	16	121.9634	2.046	16
856	2	762	0:SP2_SP2_SP2	N[6]	B[5]	C[6]	4:3:3:	3:2:2:	3:3:1:	C[6]-4:B[5]-3:C[6]-3:	N[6]-3:O[5]-2:O[5]-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6]H)(B[5]O[5]2)(C[6]C[6]H)	B[5](N[6]C[6]2)(O[5]C[5])2	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H)	N[6](C[6]C[6,6a]C[6]H)(B[5]O[5]2)(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	B[5](N[6]C[6]2)(O[5]C[5])2{2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.9190	0.437	2	121.9190	0.191	2	121.8747	0.101	3	121.8747	0.101	3	121.9634	2.046	16	121.9634	2.046	16
856	2	762	0:SP2_SP2_SP2	N[6]	B[5]	C[6]	4:3:3:	3:2:2:	3:3:1:	C[6]-4:B[5]-3:C[6]-3:	N[6]-3:O[5]-2:O[5]-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]HH)(B[5]O[5]2)(C[6]C[6]H)	B[5](N[6]C[6]2)(O[5]C[5])2	C[6](C[6]C[6,6a]B[5])(N[6]B[5]C[6])(H)	N[6](C[6]C[6,6a]HH)(B[5]O[5]2)(C[6]C[6]H){1|B<3>,2|C<3>,2|C<4>}	B[5](N[6]C[6]2)(O[5]C[5])2{2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6a]B[5])(N[6]B[5]C[6])(H){2|C<3>,2|H<1>,4|O<2>}	121.7860	0.000	1	121.7860	0.000	1	121.8747	0.101	3	121.8747	0.101	3	121.9634	2.046	16	121.9634	2.046	16
856	2	856	0:SP2_SP2_SP2	N[6]	B[5]	N[6]	3:3:3:	3:2:2:	3:3:3:	B[5]-3:C[6]-3:N[6]-3:	N[6]-3:O[5]-2:O[5]-2:	N[6]-3:C[6]-3:B-3:	N[6](B[5]O[5]2)(C[6]C[6]H)(N[6]C[6]B)	B[5](N[6]C[6]N[6])(O[5]C[5])2	N[6](N[6]B[5]C[6])(C[6]C[6]H)(BC[6a]2)	N[6](B[5]O[5]2)(C[6]C[6]H)(N[6]C[6]B){1|C<3>,2|C<4>,2|H<1>}	B[5](N[6]C[6]N[6])(O[5]C[5])2{1|B<3>,1|H<1>,2|C<3>,4|C<4>}	N[6](N[6]B[5]C[6])(C[6]C[6]H)(BC[6a]2){1|C<3>,2|H<1>,2|O<2>}	119.7390	0.000	1	119.7390	0.000	1	119.7390	0.000	1	119.7390	0.000	1	119.7390	0.000	1	119.7390	0.000	1
856	3	254	0:SP2_SP2_SP3	N[6]	B[5a]	Ge[6]	4:3:4:	3:3:3:	3:3:2:2:	Ge[6]-4:B[5a]-3:C[6]-4:	N[5a]-3:N[5a]-3:N[6]-3:	N[6]-3:N[6]-3:O-2:O-2:	N[6](Ge[6]N[6]OO)(B[5a]N[5a]2)(C[6]C[6]HH)	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6])	Ge[6](N[6]B[5a]C[6])2(OC)(OH)	N[6](Ge[6]N[6]OO)(B[5a]N[5a]2)(C[6]C[6]HH){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6]){1|C<4>,1|N<3>,2|O<2>,4|C<3>,4|H<1>}	Ge[6](N[6]B[5a]C[6])2(OC)(OH){1|C<4>,4|H<1>,4|N<3>}	126.9575	0.224	2	126.9575	0.050	2	126.9575	0.050	2	126.9575	0.050	2	126.9575	0.050	2	126.9575	0.050	2
856	3	314	0:SP2_SP1_SP2	N[6]	B[5a]	Ge[6]	3:4:2:	3:3:3:	3:3:	B[5a]-3:C[6]-4:Ge[6]-2:	N[5a]-3:N[5a]-3:N[6]-3:	N[6]-3:N[6]-3:	N[6](B[5a]N[5a]2)(C[6]C[6]HH)(Ge[6]N[6])	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6])	Ge[6](N[6]B[5a]C[6])2	N[6](B[5a]N[5a]2)(C[6]C[6]HH)(Ge[6]N[6]){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	Ge[6](N[6]B[5a]C[6])2{1|C<4>,4|H<1>,4|N<3>}	120.2005	2.183	2	120.2005	4.765	2	120.2005	4.765	2	120.2005	4.765	2	120.2005	4.765	2	120.2005	4.765	2
856	3	466	0:SP2_SP2_SP3	N[6]	B[5a]	C[6]	3:4:2:	3:3:3:	3:4:1:1:	B[5a]-3:C[6]-4:Ge[6]-2:	N[5a]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](B[5a]N[5a]2)(C[6]C[6]HH)(Ge[6]N[6])	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6])	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2	N[6](B[5a]N[5a]2)(C[6]C[6]HH)(Ge[6]N[6]){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2{2|H<1>,3|N<3>}	116.0485	0.252	2	116.0485	0.064	2	116.0485	0.064	2	116.0485	0.064	2	121.1544	12.871	7	121.1544	12.871	7
856	3	466	0:SP2_SP2_SP3	N[6]	B[5a]	C[6]	4:3:3:	3:3:3:	3:4:3:1:	C[6]-4:B[5a]-3:C[6]-3:	N[5a]-3:N[5a]-3:N[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H)	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H)	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H){1|B<3>,2|C<4>,3|C<3>,3|H<1>,3|N<3>}	123.8463	0.496	3	123.8463	0.246	3	123.8463	0.246	3	123.8463	0.246	3	121.1544	12.871	7	121.1544	12.871	7
856	3	466	0:SP2_SP2_SP3	N[6]	B[5a]	C[6]	4:3:4:	3:3:3:	3:4:1:1:	Ge[6]-4:B[5a]-3:C[6]-4:	N[5a]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](Ge[6]N[6]OO)(B[5a]N[5a]2)(C[6]C[6]HH)	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6])	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2	N[6](Ge[6]N[6]OO)(B[5a]N[5a]2)(C[6]C[6]HH){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6]){1|C<4>,1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|N<3>}	122.2225	0.712	2	122.2225	0.507	2	122.2225	0.507	2	122.2225	0.507	2	121.1544	12.871	7	121.1544	12.871	7
856	3	466	0:SP3_SP2_SP3	N[6]	B[5a]	C[6]	4:3:3:	3:3:3:	3:4:3:1:	C[6]-4:B[5a]-3:C[6]-3:	N[5a]-3:N[5a]-3:N[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H)	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H)	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H){1|B<3>,2|C<4>,3|C<3>,3|H<1>,3|N<3>}	123.0900	0.000	1	123.0900	0.000	1	123.0900	0.000	1	123.0900	0.000	1	123.0900	0.000	1	123.0900	0.000	1
856	3	490	0:SP2_SP2_SP3	N[6]	B[5a,6]	C	3:3:4:	3:3:3:	3:1:1:1:	B[5a,6]-3:N[5a,6]-3:C-4:	N[5a,6]-3:N[6]-3:N[5a]-3:	N[6]-3:H-1:H-1:H-1:	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3)	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C)	C(N[6]B[5a,6]N[5a,6])(H)3	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3){1|B<3>,1|C<3>,1|C<4>,4|N<3>}	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C){1|C<3>,2|B<3>,2|C<4>}	C(N[6]B[5a,6]N[5a,6])(H)3	121.8130	0.000	1	121.8130	0.000	1	121.8130	0.000	1	121.8130	0.000	1	121.8130	0.000	1	121.8130	0.000	1
856	3	490	0:SP3_SP2_SP3	N[6]	B[5a,6]	C	3:3:4:	3:3:3:	3:1:1:1:	B[5a,6]-3:N[5a,6]-3:C-4:	N[5a,6]-3:N[6]-3:N[5a]-3:	N[6]-3:H-1:H-1:H-1:	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3)	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C)	C(N[6]B[5a,6]N[5a,6])(H)3	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3){1|B<3>,1|C<3>,1|C<4>,4|N<3>}	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C){1|C<3>,2|B<3>,2|C<4>}	C(N[6]B[5a,6]N[5a,6])(H)3	118.4630	0.000	1	118.4630	0.000	1	118.4630	0.000	1	118.4630	0.000	1	118.4630	0.000	1	118.4630	0.000	1
856	3	762	0:SP2_SP2_SP2	N[6]	B[5a]	C[6]	3:3:3:	2:2:3:	3:3:3:	C[6]-3:C[6]-3:B[5a]-3:	O[5a]-2:O[5a]-2:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6](C[6]C[6a]C[6])2(B[5a]O[5a]2)	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)	C[6](N[6]B[5a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])2(B[5a]O[5a]2){2|H<1>,7|C<3>}	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2){6|C<3>}	C[6](N[6]B[5a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	118.6195	2.017	2	118.6195	4.070	2	118.6195	4.070	2	118.6195	4.070	2	120.5396	5.693	11	120.5396	5.693	11
856	3	762	0:SP2_SP2_SP2	N[6]	B[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](B[5a]N[5a]2)(C[6]C[6]H)2	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]N[5a]2)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2){2|H<1>,8|C<3>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|N<3>}	122.8448	0.788	4	122.4372	0.826	6	122.4372	0.826	6	122.4372	0.826	6	120.5396	5.693	11	120.5396	5.693	11
856	3	762	0:SP2_SP2_SP2	N[6]	B[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](B[5a]N[5a]2)(C[6]C[6]H)2	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]N[5a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2){2|H<1>,8|C<3>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	121.6220	0.526	2	122.4372	0.826	6	122.4372	0.826	6	122.4372	0.826	6	120.5396	5.693	11	120.5396	5.693	11
856	3	762	0:SP2_SP2_SP2	N[6]	B[5a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:B[5a]-3:C[6]-3:	N[5a]-3:N[5a]-3:N[6]-3:	C[6,6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H)	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2)	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H)	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H){1|C<3>,2|C<4>,3|H<1>,3|N<3>}	118.0247	0.623	3	118.0247	0.388	3	118.0247	0.388	3	118.0247	0.388	3	120.5396	5.693	11	120.5396	5.693	11
856	3	762	0:SP3_SP2_SP2	N[6]	B[5a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:B[5a]-3:C[6]-3:	N[5a]-3:N[5a]-3:N[6]-3:	C[6,6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H)	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2)	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H)	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H){1|C<3>,2|C<4>,3|H<1>,3|N<3>}	117.6070	0.000	1	117.6070	0.000	1	117.6070	0.000	1	117.6070	0.000	1	117.6070	0.000	1	117.6070	0.000	1
856	3	813	6:SP2_SP2_SP2	N[6]	B[5a,6]	N[5a,6]	3:3:4:	3:3:3:	3:3:3:	B[5a,6]-3:N[5a,6]-3:C-4:	N[5a,6]-3:N[6]-3:N[5a]-3:	B[5a,6]-3:B[5a]-3:N[6]-3:	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3)	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C)	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C)	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3){1|B<3>,1|C<3>,1|C<4>,4|N<3>}	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C){1|C<3>,2|B<3>,2|C<4>}	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C){2|C<3>,2|N<3>,3|C<4>}	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1
856	3	813	6:SP3_SP2_SP2	N[6]	B[5a,6]	N[5a,6]	3:3:4:	3:3:3:	3:3:3:	B[5a,6]-3:N[5a,6]-3:C-4:	N[5a,6]-3:N[6]-3:N[5a]-3:	B[5a,6]-3:B[5a]-3:N[6]-3:	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3)	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C)	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C)	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3){1|B<3>,1|C<3>,1|C<4>,4|N<3>}	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C){1|C<3>,2|B<3>,2|C<4>}	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C){2|C<3>,2|N<3>,3|C<4>}	111.9260	0.000	1	111.9260	0.000	1	111.9260	0.000	1	111.9260	0.000	1	111.9260	0.000	1	111.9260	0.000	1
856	14	14	0:SP2_SP3_SP3	N[6]	P[6]	P[6]	3:3:4:	3:3:4:	3:3:4:	P[6]-3:P[6]-3:C[6]-4:	N[6]-3:N[6]-3:C[6]-4:	N[6]-3:N[6]-3:C[6]-4:	N[6](P[6]C[6]N[6])2(C[6]C[6]HH)	P[6](N[6]C[6]P[6])2(C[6]C[6]HH)	P[6](N[6]C[6]P[6])2(C[6]C[6]HH)	N[6](P[6]C[6]N[6])2(C[6]C[6]HH){2|C<3>,2|P<3>,3|C<4>,4|H<1>}	P[6](N[6]C[6]P[6])2(C[6]C[6]HH){2|C<3>,2|N<3>,3|C<4>,4|H<1>}	P[6](N[6]C[6]P[6])2(C[6]C[6]HH){2|C<3>,2|N<3>,3|C<4>,4|H<1>}	112.1610	2.373	2	112.1610	5.631	2	112.1610	5.631	2	112.1610	5.631	2	112.1610	5.631	2	112.1610	5.631	2
856	14	14	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:P[6]-3:P[6]-3:	N[6]-3:N[6]-3:Br-1:	N[6]-3:N[6]-3:Br-1:	N[6](C[6a]C[6a]2)(P[6]N[6]Br)2	P[6](N[6]C[6a]P[6])2(Br)	P[6](N[6]C[6a]P[6])2(Br)	N[6](C[6a]C[6a]2)(P[6]N[6]Br)2{1|P<3>,2|C<4>,4|C<3>}	P[6](N[6]C[6a]P[6])2(Br){2|Br<1>,1|N<3>,4|C<3>}	P[6](N[6]C[6a]P[6])2(Br){2|Br<1>,1|N<3>,4|C<3>}	133.2508	2.315	6	133.2508	5.360	6	133.2508	5.360	6	132.9579	3.723	10	133.9459	3.989	17	133.9459	3.989	17
856	14	14	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:P[6]-3:P[6]-3:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:N[6]-3:Cl-1:	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)2	P[6](N[6]C[6a]P[6])2(Cl)	P[6](N[6]C[6a]P[6])2(Cl)	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)2{1|P<2>,2|C<4>,4|C<3>}	P[6](N[6]C[6a]P[6])2(Cl){1|Cl<1>,1|N<3>,4|C<3>}	P[6](N[6]C[6a]P[6])2(Cl){1|Cl<1>,1|N<3>,4|C<3>}	131.7740	0.000	1	132.5185	1.808	4	132.5185	1.808	4	132.9579	3.723	10	133.9459	3.989	17	133.9459	3.989	17
856	14	14	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:P[6]-3:P[6]-3:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:N[6]-3:Cl-1:	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)2	P[6](N[6]C[6a]P[6])2(Cl)	P[6](N[6]C[6a]P[6])2(Cl)	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)2{1|P<3>,2|C<4>,4|C<3>}	P[6](N[6]C[6a]P[6])2(Cl){2|Cl<1>,1|N<3>,4|C<3>}	P[6](N[6]C[6a]P[6])2(Cl){2|Cl<1>,1|N<3>,4|C<3>}	132.7667	1.531	3	132.5185	1.808	4	132.5185	1.808	4	132.9579	3.723	10	133.9459	3.989	17	133.9459	3.989	17
856	14	14	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	3:3:4:	3:2:2:	3:3:2:	P[6]-3:P[6]-3:C-4:	N[6]-3:N[6]-2:O-2:	N[6]-3:N[6]-3:O-2:	N[6](P[6]N[6]O)2(CCHH)	P[6](N[6]P[6]C)(N[6]P[6])(OC[6a])	P[6](N[6]P[6]C)2(OC[6a])	N[6](P[6]N[6]O)2(CCHH){1|C<4>,1|P<3>}	P[6](N[6]P[6]C)(N[6]P[6])(OC[6a]){1|N<3>,2|O<2>}	P[6](N[6]P[6]C)2(OC[6a]){1|N<2>,2|O<2>}	136.0447	0.283	3	136.0447	0.080	3	136.0447	0.080	3	136.0447	0.080	3	133.9459	3.989	17	133.9459	3.989	17
856	14	14	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	3:3:4:	3:3:1:	3:3:1:	P[6]-3:P[6]-3:C-4:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:N[6]-3:Cl-1:	N[6](P[6]N[6]Cl)2(CCHH)	P[6](N[6]P[6]C)2(Cl)	P[6](N[6]P[6]C)2(Cl)	N[6](P[6]N[6]Cl)2(CCHH){1|P<3>,2|C<4>}	P[6](N[6]P[6]C)2(Cl){2|Cl<1>,1|N<3>}	P[6](N[6]P[6]C)2(Cl){2|Cl<1>,1|N<3>}	134.3463	0.712	3	134.3463	0.507	3	134.3463	0.507	3	134.3463	0.507	3	133.9459	3.989	17	133.9459	3.989	17
856	14	14	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	3:3:4:	3:3:2:	3:3:2:	P[6]-3:P[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:O-2:	N[6](P[6]N[6]O)2(CCHH)	P[6](N[6]P[6]C)2(OC[6a])	P[6](N[6]P[6]C)2(OC[6a])	N[6](P[6]N[6]O)2(CCHH){1|P<3>,2|C<4>}	P[6](N[6]P[6]C)2(OC[6a]){1|N<3>,2|O<2>}	P[6](N[6]P[6]C)2(OC[6a]){1|N<3>,2|O<2>}	136.3290	0.000	1	136.3290	0.000	1	136.3290	0.000	1	136.3290	0.000	1	133.9459	3.989	17	133.9459	3.989	17
856	14	14	6:SP3_SP3_SP3	N[6]	P[6]	P[6]	3:3:4:	3:2:2:	3:3:2:	P[6]-3:P[6]-3:C-4:	N[6]-3:N[6]-2:O-2:	N[6]-3:N[6]-3:O-2:	N[6](P[6]N[6]O)2(CCHH)	P[6](N[6]P[6]C)(N[6]P[6])(OC[6a])	P[6](N[6]P[6]C)2(OC[6a])	N[6](P[6]N[6]O)2(CCHH){1|C<4>,1|P<3>}	P[6](N[6]P[6]C)(N[6]P[6])(OC[6a]){1|N<3>,2|O<2>}	P[6](N[6]P[6]C)2(OC[6a]){1|N<2>,2|O<2>}	134.5450	0.000	1	134.5450	0.000	1	134.5450	0.000	1	134.5450	0.000	1	134.5450	0.000	1	134.5450	0.000	1
856	14	394	6:SP2_SP3_SPD5	N[6]	P[6]	P[5,6,6]	5:3:4:	3:3:2:	3:2:2:3:3:	P[5,6,6]-5:P[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	N[6,6]-3:O[5]-2:O[5]-2:N[6]-3:N[6]-3:	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH)	P[6](N[6]P[5,6,6]C)(N[6]P[6,6]C)(OC[6a])	P[5,6,6](N[6,6]P[6,6]C)(O[5]C[5,6a])2(N[6]P[6]C)2	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH){1|P<3>,1|P<4>,2|C<3>,3|C<4>}	P[6](N[6]P[5,6,6]C)(N[6]P[6,6]C)(OC[6a]){1|O<1>,2|O<2>,3|N<3>}	P[5,6,6](N[6,6]P[6,6]C)(O[5]C[5,6a])2(N[6]P[6]C)2{1|O<1>,2|C<3>,2|N<3>,2|O<2>}	122.1520	0.000	1	122.1520	0.000	1	122.1520	0.000	1	122.1520	0.000	1	122.1520	0.000	1	122.1520	0.000	1
856	14	394	6:SP3_SP3_SPD5	N[6]	P[6]	P[5,6,6]	5:3:4:	3:3:2:	3:2:2:3:3:	P[5,6,6]-5:P[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	N[6,6]-3:O[5]-2:O[5]-2:N[6]-3:N[6]-3:	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH)	P[6](N[6]P[5,6,6]C)(N[6]P[6,6]C)(OC[6a])	P[5,6,6](N[6,6]P[6,6]C)(O[5]C[5,6a])2(N[6]P[6]C)2	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH){1|P<3>,1|P<4>,2|C<3>,3|C<4>}	P[6](N[6]P[5,6,6]C)(N[6]P[6,6]C)(OC[6a]){1|O<1>,2|O<2>,3|N<3>}	P[5,6,6](N[6,6]P[6,6]C)(O[5]C[5,6a])2(N[6]P[6]C)2{1|O<1>,2|C<3>,2|N<3>,2|O<2>}	128.6390	0.000	1	128.6390	0.000	1	128.6390	0.000	1	128.6390	0.000	1	128.6390	0.000	1	128.6390	0.000	1
856	14	466	0:SP2_SP3_SP3	N[6]	P[6]	C[6]	3:3:4:	3:3:4:	3:3:1:1:	P[6]-3:P[6]-3:C[6]-4:	N[6]-3:N[6]-3:C[6]-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6](P[6]C[6]N[6])2(C[6]C[6]HH)	P[6](N[6]C[6]P[6])2(C[6]C[6]HH)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	N[6](P[6]C[6]N[6])2(C[6]C[6]HH){2|C<3>,2|P<3>,3|C<4>,4|H<1>}	P[6](N[6]C[6]P[6])2(C[6]C[6]HH){2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{2|N<3>,3|C<4>}	122.1915	1.009	2	122.1915	1.018	2	122.1915	1.018	2	122.1915	1.018	2	123.1437	3.229	3	123.1437	3.229	3
856	14	466	0:SP2_SP3_SP3	N[6]	P[6]	C[6]	4:3:4:	3:3:4:	3:3:1:1:	P[6]-4:P[6]-3:C[6]-4:	N[6]-3:N[6]-3:C[6]-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6](P[6]C[6]N[6]Mo)(P[6]C[6]N[6])(C[6]C[6]HH)	P[6](N[6]C[6]P[6])2(C[6]C[6]HH)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	N[6](P[6]C[6]N[6]Mo)(P[6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|P<4>,3|C<4>,4|H<1>}	P[6](N[6]C[6]P[6])2(C[6]C[6]HH){1|Mo<6>,2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{1|Mo<6>,2|N<3>,3|C<4>}	125.0480	0.000	1	125.0480	0.000	1	125.0480	0.000	1	125.0480	0.000	1	123.1437	3.229	3	123.1437	3.229	3
856	14	466	0:SP3_SP3_SP3	N[6,6]	P[6,6]	C[6]	4:4:3:	3:2:2:	3:3:4:1:	C[6]-4:C[6,6]-4:P[6,6]-3:	N[6,6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2)	P[6,6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H)	N[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2){1|C<4>,2|H<1>,6|C<3>}	P[6,6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1
856	14	466	6:SP2_SP3_SP3	N[6,6]	P[3x6]	C[6,6]	4:3:3:	3:3:3:	3:3:1:1:	C[6,6]-4:P[3x6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	N[6,6]-3:P[3x6]-3:H-1:H-1:	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2)	P[3x6](N[6,6]C[6,6]C[6a])3	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2)(H)2	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	P[3x6](N[6,6]C[6,6]C[6a])3{1|P<3>,6|C<3>,6|H<1>}	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2)(H)2{2|C<3>,2|N<3>,4|H<1>}	118.7950	0.453	3	118.7950	0.205	3	118.7950	0.205	3	118.7950	0.205	3	120.0253	1.232	12	120.0027	4.440	16
856	14	466	6:SP2_SP3_SP3	N[6,6]	P[3x6]	C[6,6]	4:3:3:	3:3:3:	3:4:1:1:	C[6,6]-4:P[3x6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	N[6,6]-3:P[3x6]-4:H-1:H-1:	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2)	P[3x6](N[6,6]C[6,6]C[6a])3	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2Mo)(H)2	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2){1|Mo<6>,2|C<4>,2|H<1>,4|C<3>}	P[3x6](N[6,6]C[6,6]C[6a])3{1|P<4>,6|C<3>,6|H<1>}	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2Mo)(H)2{2|C<3>,2|N<3>,4|H<1>}	120.4353	0.941	9	120.4353	0.886	9	120.4353	0.886	9	120.4353	0.886	9	120.0253	1.232	12	120.0027	4.440	16
856	14	466	6:SP2_SP3_SP3	N[6,6]	P[6,6]	C[6,6]	4:3:3:	3:2:2:	3:3:3:1:	C[6,6]-4:C[6a]-3:P[6,6]-3:	N[6,6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	N[6,6](C[6,6]C[6,6a]2H)(C[6a]C[6a]2)(P[6,6]O[6]2)	P[6,6](N[6,6]C[6,6]C[6a])(O[6]C[6,6a])2	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6a])(H)	N[6,6](C[6,6]C[6,6a]2H)(C[6a]C[6a]2)(P[6,6]O[6]2){2|H<1>,6|C<3>}	P[6,6](N[6,6]C[6,6]C[6a])(O[6]C[6,6a])2{1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6a])(H){2|H<1>,2|O<2>,6|C<3>}	114.1680	0.000	1	114.1680	0.000	1	114.1680	0.000	1	114.1680	0.000	1	114.1680	0.000	1	120.0027	4.440	16
856	14	466	6:SP2_SP3_SP3	N[6]	P[6]	C[6]	3:3:4:	3:3:4:	3:3:1:1:	P[6]-3:P[6]-3:C[6]-4:	N[6]-3:N[6]-3:C[6]-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6](P[6]C[6]N[6])2(C[6]C[6]HH)	P[6](N[6]C[6]P[6])2(C[6]C[6]HH)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	N[6](P[6]C[6]N[6])2(C[6]C[6]HH){2|C<3>,2|P<3>,3|C<4>,4|H<1>}	P[6](N[6]C[6]P[6])2(C[6]C[6]HH){2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{2|N<3>,3|C<4>}	122.8215	1.761	2	122.8215	3.103	2	122.8215	3.103	2	122.8215	3.103	2	121.8573	4.340	3	120.0027	4.440	16
856	14	466	6:SP2_SP3_SP3	N[6]	P[6]	C[6]	4:3:4:	3:3:4:	3:3:1:1:	P[6]-4:P[6]-3:C[6]-4:	N[6]-3:N[6]-3:C[6]-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6](P[6]C[6]N[6]Mo)(P[6]C[6]N[6])(C[6]C[6]HH)	P[6](N[6]C[6]P[6])2(C[6]C[6]HH)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	N[6](P[6]C[6]N[6]Mo)(P[6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|P<4>,3|C<4>,4|H<1>}	P[6](N[6]C[6]P[6])2(C[6]C[6]HH){1|Mo<6>,2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{1|Mo<6>,2|N<3>,3|C<4>}	119.9290	0.000	1	119.9290	0.000	1	119.9290	0.000	1	119.9290	0.000	1	121.8573	4.340	3	120.0027	4.440	16
856	14	466	6:SP3_SP3_SP3	N[6,6]	P[6,6]	C[6,6]	4:4:3:	3:2:2:	3:3:3:1:	C[5]-4:C[6,6]-4:P[6,6]-3:	N[6,6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	N[6,6](C[5]C[5,6a]C[5]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2)	P[6,6](N[6,6]C[6,6]C[5])(O[6]C[6,6a])2	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[5])(H)	N[6,6](C[5]C[5,6a]C[5]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2){1|C<4>,2|H<1>,6|C<3>}	P[6,6](N[6,6]C[6,6]C[5])(O[6]C[6,6a])2{1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[5])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	114.7420	0.000	1	114.7420	0.000	1	114.7420	0.000	1	115.0795	0.228	2	115.0795	0.228	2	115.0795	0.228	2
856	14	466	6:SP3_SP3_SP3	N[6,6]	P[6,6]	C[6,6]	4:4:3:	3:2:2:	3:3:3:1:	C[6]-4:C[6,6]-4:P[6,6]-3:	N[6,6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	N[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2)	P[6,6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])2	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6])(H)	N[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2){1|C<4>,2|H<1>,6|C<3>}	P[6,6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])2{1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	115.0795	0.228	2	115.0795	0.228	2	115.0795	0.228	2
856	14	474	0:SP3_SP3_SP3	N[6,6]	P[6,6]	C[5]	4:4:3:	3:2:2:	3:3:4:1:	C[5]-4:C[6,6]-4:P[6,6]-3:	N[6,6]-3:O[6]-2:O[6]-2:	C[5,6a]-3:N[6,6]-3:C[5]-4:H-1:	N[6,6](C[5]C[5,6a]C[5]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2)	P[6,6](N[6,6]C[6,6]C[5])(O[6]C[6,6a])2	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H)	N[6,6](C[5]C[5,6a]C[5]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2){1|C<4>,2|H<1>,6|C<3>}	P[6,6](N[6,6]C[6,6]C[5])(O[6]C[6,6a])2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H){2|O<2>,4|C<3>,4|H<1>}	119.5920	0.000	1	119.5920	0.000	1	119.5920	0.000	1	119.5920	0.000	1	119.5920	0.000	1	119.5920	0.000	1
856	14	490	0:SP2_SP3_SP3	N[6]	P[6]	C	3:3:4:	3:2:2:	3:4:1:1:	P[6]-3:P[6]-3:C-4:	N[6]-3:N[6]-2:O-2:	N[6]-3:C-4:H-1:H-1:	N[6](P[6]N[6]O)2(CCHH)	P[6](N[6]P[6]C)(N[6]P[6])(OC[6a])	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]O)2(CCHH){1|C<4>,1|P<3>}	P[6](N[6]P[6]C)(N[6]P[6])(OC[6a]){1|N<3>,2|O<2>}	C(N[6]P[6]2)(CH3)(H)2	110.6870	0.855	3	110.6870	0.731	3	110.6870	0.731	3	110.6870	0.731	3	111.9161	1.260	16	111.9161	1.260	16
856	14	490	0:SP2_SP3_SP3	N[6]	P[6]	C	3:3:4:	3:3:1:	3:4:1:1:	P[6]-3:P[6]-3:C-4:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:C-4:H-1:H-1:	N[6](P[6]N[6]Cl)2(CCHH)	P[6](N[6]P[6]C)2(Cl)	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]Cl)2(CCHH){1|P<3>,2|C<4>}	P[6](N[6]P[6]C)2(Cl){2|Cl<1>,1|N<3>}	C(N[6]P[6]2)(CH3)(H)2	112.2373	0.692	6	112.2373	0.479	6	112.2373	0.479	6	112.2373	0.479	6	111.9161	1.260	16	111.9161	1.260	16
856	14	490	0:SP2_SP3_SP3	N[6]	P[6]	C	3:3:4:	3:3:2:	3:4:1:1:	P[6]-3:P[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	N[6]-3:C-4:H-1:H-1:	N[6](P[6]N[6]O)2(CCHH)	P[6](N[6]P[6]C)2(OC[6a])	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]O)2(CCHH){1|C<4>,1|P<3>}	P[6](N[6]P[6]C)2(OC[6a]){1|N<2>,2|O<2>}	C(N[6]P[6]2)(CH3)(H)2	113.0197	0.975	3	112.5262	1.797	5	112.5262	1.797	5	112.5262	1.797	5	111.9161	1.260	16	111.9161	1.260	16
856	14	490	0:SP2_SP3_SP3	N[6]	P[6]	C	3:3:4:	3:3:2:	3:4:1:1:	P[6]-3:P[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	N[6]-3:C-4:H-1:H-1:	N[6](P[6]N[6]O)2(CCHH)	P[6](N[6]P[6]C)2(OC[6a])	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]O)2(CCHH){1|P<3>,2|C<4>}	P[6](N[6]P[6]C)2(OC[6a]){1|N<3>,2|O<2>}	C(N[6]P[6]2)(CH3)(H)2	111.7860	1.860	2	112.5262	1.797	5	112.5262	1.797	5	112.5262	1.797	5	111.9161	1.260	16	111.9161	1.260	16
856	14	490	0:SP2_SP3_SP3	N[6]	P[6]	C	4:3:4:	3:3:2:	3:4:1:1:	P[6]-4:P[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	N[6]-3:C-4:H-1:H-1:	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH)	P[6](N[6]P[6]C)2(OC[6a])	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH){1|P<4>,2|C<4>}	P[6](N[6]P[6]C)2(OC[6a]){2|Se<1>,1|N<3>,2|O<2>}	C(N[6]P[6]2)(CH3)(H)2	111.3460	0.000	1	111.3460	0.000	1	111.3460	0.000	1	111.3460	0.000	1	111.9161	1.260	16	111.9161	1.260	16
856	14	490	0:SP2_SP3_SP3	N[6]	P[6]	C	5:3:4:	3:3:2:	3:4:1:1:	P[5,6,6]-5:P[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	N[6]-3:C-4:H-1:H-1:	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH)	P[6](N[6]P[5,6,6]C)(N[6]P[6,6]C)(OC[6a])	C(N[6]P[5,6,6]P[6])(CH3)(H)2	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH){1|P<3>,1|P<4>,2|C<3>,3|C<4>}	P[6](N[6]P[5,6,6]C)(N[6]P[6,6]C)(OC[6a]){1|O<1>,2|O<2>,3|N<3>}	C(N[6]P[5,6,6]P[6])(CH3)(H)2	111.1950	0.000	1	111.1950	0.000	1	111.1950	0.000	1	111.1950	0.000	1	111.9161	1.260	16	111.9161	1.260	16
856	14	490	0:SP3_SP3_SP3	N[6]	P[6]	C	3:3:4:	3:2:2:	3:4:1:1:	P[6]-3:P[6]-3:C-4:	N[6]-3:N[6]-2:O-2:	N[6]-3:C-4:H-1:H-1:	N[6](P[6]N[6]O)2(CCHH)	P[6](N[6]P[6]C)(N[6]P[6])(OC[6a])	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]O)2(CCHH){1|C<4>,1|P<3>}	P[6](N[6]P[6]C)(N[6]P[6])(OC[6a]){1|N<3>,2|O<2>}	C(N[6]P[6]2)(CH3)(H)2	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	115.2534	14.621	8	115.2534	14.621	8
856	14	490	0:SP3_SP3_SP3	N[6]	P[6]	C	3:3:4:	3:3:2:	3:4:1:1:	P[6]-3:P[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	N[6]-3:C-4:H-1:H-1:	N[6](P[6]N[6]O)2(CCHH)	P[6](N[6]P[6]C)2(OC[6a])	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]O)2(CCHH){1|C<4>,1|P<3>}	P[6](N[6]P[6]C)2(OC[6a]){1|N<2>,2|O<2>}	C(N[6]P[6]2)(CH3)(H)2	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	115.2534	14.621	8	115.2534	14.621	8
856	14	490	0:SP3_SP3_SP3	N[6]	P[6]	C	3:3:4:	3:3:3:	3:1:1:1:	P[6]-3:N[6]-3:C-4:	C[6a]-3:N[6]-3:N[6]-3:	N[6]-3:H-1:H-1:H-1:	N[6](P[6]C[6a]N[6])(N[6]P[6]C)(CH3)	P[6](C[6a]C[6a]2)(N[6]N[6]C)2	C(N[6]N[6]P[6])(H)3	N[6](P[6]C[6a]N[6])(N[6]P[6]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	P[6](C[6a]C[6a]2)(N[6]N[6]C)2{1|P<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[6]N[6]P[6])(H)3	120.2045	1.457	2	120.2045	2.124	2	120.2045	2.124	2	120.2045	2.124	2	115.2534	14.621	8	115.2534	14.621	8
856	14	490	0:SP3_SP3_SP3	N[6]	P[6]	C	4:3:4:	3:3:2:	3:4:1:1:	P[6,6]-4:P[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	N[6]-3:C-4:H-1:H-1:	N[6](P[6,6]N[6,6]N[6]O)(P[6]N[6]O)(CCHH)	P[6](N[6]P[5,6,6]C)(N[6]P[6,6]C)(OC[6a])	C(N[6]P[6,6]P[6])(CH3)(H)2	N[6](P[6,6]N[6,6]N[6]O)(P[6]N[6]O)(CCHH){1|P<3>,1|P<5>,3|C<4>}	P[6](N[6]P[5,6,6]C)(N[6]P[6,6]C)(OC[6a]){1|O<1>,2|O<2>,3|N<3>}	C(N[6]P[6,6]P[6])(CH3)(H)2	116.6770	1.113	2	116.6770	1.239	2	116.6770	1.239	2	114.5493	14.200	3	115.2534	14.621	8	115.2534	14.621	8
856	14	490	0:SP3_SP3_SP3	N[6]	P[6]	C	4:3:4:	3:3:2:	3:4:1:1:	P[6]-4:P[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	N[6]-3:C-4:H-1:H-1:	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH)	P[6](N[6]P[6]C)2(OC[6a])	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH){1|P<4>,2|C<4>}	P[6](N[6]P[6]C)2(OC[6a]){2|Se<1>,1|N<3>,2|O<2>}	C(N[6]P[6]2)(CH3)(H)2	110.2940	0.000	1	110.2940	0.000	1	110.2940	0.000	1	114.5493	14.200	3	115.2534	14.621	8	115.2534	14.621	8
856	14	490	0:SP3_SP3_SP3	N[6]	P[6]	C	5:3:4:	3:3:2:	3:4:1:1:	P[5,6,6]-5:P[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	N[6]-3:C-4:H-1:H-1:	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH)	P[6](N[6]P[5,6,6]C)(N[6]P[6,6]C)(OC[6a])	C(N[6]P[5,6,6]P[6])(CH3)(H)2	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH){1|P<3>,1|P<4>,2|C<3>,3|C<4>}	P[6](N[6]P[5,6,6]C)(N[6]P[6,6]C)(OC[6a]){1|O<1>,2|O<2>,3|N<3>}	C(N[6]P[5,6,6]P[6])(CH3)(H)2	112.9760	0.000	1	112.9760	0.000	1	112.9760	0.000	1	112.9760	0.000	1	115.2534	14.621	8	115.2534	14.621	8
856	14	643	0:SP2_SP2_SP3	N[6,6]	P[3x6]	C[6a]	4:3:3:	3:3:3:	3:3:3:	C[6,6]-4:P[3x6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2)	P[3x6](N[6,6]C[6,6]C[6a])3	C[6a](N[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2){1|Mo<6>,2|C<4>,2|H<1>,4|C<3>}	P[3x6](N[6,6]C[6,6]C[6a])3{1|P<4>,6|C<3>,6|H<1>}	C[6a](N[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|N<3>,4|H<1>}	120.5859	1.031	9	120.5147	0.833	12	120.5147	0.833	12	120.5147	0.833	12	120.5147	0.833	12	115.6318	13.195	40
856	14	643	0:SP2_SP2_SP3	N[6,6]	P[3x6]	C[6a]	4:3:3:	3:3:3:	3:3:3:	C[6,6]-4:P[3x6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2)	P[3x6](N[6,6]C[6,6]C[6a])3	C[6a](N[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	P[3x6](N[6,6]C[6,6]C[6a])3{1|P<3>,6|C<3>,6|H<1>}	C[6a](N[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2{1|C<3>,1|P<3>,2|N<3>,4|H<1>}	120.3010	0.485	3	120.5147	0.833	12	120.5147	0.833	12	120.5147	0.833	12	120.5147	0.833	12	115.6318	13.195	40
856	14	643	0:SP2_SP2_SP3	N[6,6]	P[6,6]	C[6a]	4:3:3:	3:2:2:	3:3:3:	C[6,6]-4:C[6a]-3:P[6,6]-3:	N[6,6]-3:O[6]-2:O[6]-2:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]2H)(C[6a]C[6a]2)(P[6,6]O[6]2)	P[6,6](N[6,6]C[6,6]C[6a])(O[6]C[6,6a])2	C[6a](N[6,6]C[6,6]P[6,6])(C[6a]C[6a]H)2	N[6,6](C[6,6]C[6,6a]2H)(C[6a]C[6a]2)(P[6,6]O[6]2){2|H<1>,6|C<3>}	P[6,6](N[6,6]C[6,6]C[6a])(O[6]C[6,6a])2{1|H<1>,6|C<3>}	C[6a](N[6,6]C[6,6]P[6,6])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,2|O<2>,3|C<3>}	118.7300	0.000	1	118.7300	0.000	1	118.7300	0.000	1	118.7300	0.000	1	118.7300	0.000	1	115.6318	13.195	40
856	14	643	0:SP2_SP2_SP3	N[6]	P[6]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:P[6]-3:P[6]-2:	N[6]-3:N[6]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)(P[6]N[6])	P[6](N[6]C[6a]P[6])2(Cl)	C[6a](C[6a]C[6a]C)2(N[6]P[6]2)	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)(P[6]N[6]){1|P<3>,2|C<4>,4|C<3>}	P[6](N[6]C[6a]P[6])2(Cl){1|Cl<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]P[6]2){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	111.9470	1.986	2	111.9470	3.942	2	111.9470	3.942	2	111.9470	3.942	2	113.3469	2.644	27	115.6318	13.195	40
856	14	643	0:SP2_SP2_SP3	N[6]	P[6]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:P[6]-3:	N[6]-3:N[6]-3:I-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]N[6]I)	P[6](N[6]C[6a]C[6])2(I)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]N[6]I){2|C<4>,5|C<3>}	P[6](N[6]C[6a]C[6])2(I){2|H<1>,5|C<3>}	C[6a](N[6]C[6]P[6])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|C<3>,3|H<1>}	114.3970	0.875	2	114.3970	0.766	2	114.3970	0.766	2	113.4550	2.633	24	113.3469	2.644	27	115.6318	13.195	40
856	14	643	0:SP2_SP2_SP3	N[6]	P[6]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:P[6]-3:C[6]-3:	N[6]-3:N[6]-3:Br-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(P[6]N[6]Br)(C[6]C[6]C)	P[6](N[6]C[6a]C[6])2(Br)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(P[6]N[6]Br)(C[6]C[6]C){3|C<4>,4|C<3>}	P[6](N[6]C[6a]C[6])2(Br){2|C<4>,5|C<3>}	C[6a](N[6]C[6]P[6])(C[6a]C[6a]C)2{1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	114.8715	2.111	2	114.8715	4.455	2	114.8715	4.455	2	113.4550	2.633	24	113.3469	2.644	27	115.6318	13.195	40
856	14	643	0:SP2_SP2_SP3	N[6]	P[6]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:P[6]-3:P[6]-3:	N[6]-3:N[6]-3:Br-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(P[6]N[6]Br)2	P[6](N[6]C[6a]P[6])2(Br)	C[6a](C[6a]C[6a]C)2(N[6]P[6]2)	N[6](C[6a]C[6a]2)(P[6]N[6]Br)2{1|P<3>,2|C<4>,4|C<3>}	P[6](N[6]C[6a]P[6])2(Br){2|Br<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]P[6]2){2|Br<1>,1|C<3>,2|H<1>,2|N<3>}	113.0850	1.710	12	113.0850	2.924	12	113.0850	2.924	12	113.4550	2.633	24	113.3469	2.644	27	115.6318	13.195	40
856	14	643	0:SP2_SP2_SP3	N[6]	P[6]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:P[6]-3:P[6]-3:	N[6]-3:N[6]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)2	P[6](N[6]C[6a]P[6])2(Cl)	C[6a](C[6a]C[6a]C)2(N[6]P[6]2)	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)2{1|P<2>,2|C<4>,4|C<3>}	P[6](N[6]C[6a]P[6])2(Cl){1|Cl<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]P[6]2){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	113.9845	1.051	2	113.4204	2.249	8	113.4204	2.249	8	113.4550	2.633	24	113.3469	2.644	27	115.6318	13.195	40
856	14	643	0:SP2_SP2_SP3	N[6]	P[6]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:P[6]-3:P[6]-3:	N[6]-3:N[6]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)2	P[6](N[6]C[6a]P[6])2(Cl)	C[6a](C[6a]C[6a]C)2(N[6]P[6]2)	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)2{1|P<3>,2|C<4>,4|C<3>}	P[6](N[6]C[6a]P[6])2(Cl){2|Cl<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]P[6]2){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	113.2323	1.661	6	113.4204	2.249	8	113.4204	2.249	8	113.4550	2.633	24	113.3469	2.644	27	115.6318	13.195	40
856	14	643	0:SP2_SP2_SP3	N[6]	P[6]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:P[6]-3:C[6]-3:	N[6]-3:C[6]-4:Cl-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(P[6]C[6]Cl)(C[6]C[6]C)	P[6](N[6]C[6a]C[6])(C[6]C[6]HH)(Cl)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(P[6]C[6]Cl)(C[6]C[6]C){2|C<4>,3|C<3>,3|H<1>}	P[6](N[6]C[6a]C[6])(C[6]C[6]HH)(Cl){1|C<4>,1|N<3>,3|C<3>}	C[6a](N[6]C[6]P[6])(C[6a]C[6a]C)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	113.5510	0.000	1	113.5510	0.000	1	113.5510	0.000	1	113.5510	0.000	1	113.3469	2.644	27	115.6318	13.195	40
856	14	762	6:SP2_SP2_SP3	N[3x6]	P[6,6]	C[6,6]	3:3:3:	3:2:2:	3:3:3:	C[6,6]-3:C[6,6]-3:P[6,6]-3:	N[3x6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:N[3x6]-3:C[6]-3:	N[3x6](C[6,6]C[6,6a]C[6])2(P[6,6]O[6]2)	P[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6]P[6,6])(C[6]C[6]H)	N[3x6](C[6,6]C[6,6a]C[6])2(P[6,6]O[6]2){2|H<1>,5|C<3>}	P[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2{6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6]P[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,4|C<3>}	118.2190	0.536	2	118.2190	0.287	2	118.2190	0.287	2	118.2190	0.287	2	118.2190	0.287	2	122.5684	9.885	7
856	14	762	6:SP2_SP2_SP3	N[6]	P[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:P[6]-3:	N[6]-3:N[6]-3:I-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]N[6]I)	P[6](N[6]C[6a]C[6])2(I)	C[6](C[6]C[6a]C[6])(N[6]C[6a]P[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]N[6]I){2|C<4>,5|C<3>}	P[6](N[6]C[6a]C[6])2(I){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]P[6])(H){1|H<1>,1|I<1>,1|N<3>,4|C<3>}	124.8145	0.281	2	124.8145	0.079	2	124.8145	0.079	2	124.8145	0.079	2	124.3082	1.513	5	122.5684	9.885	7
856	14	762	6:SP2_SP2_SP3	N[6]	P[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:P[6]-3:C[6]-3:	N[6]-3:N[6]-3:Br-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(P[6]N[6]Br)(C[6]C[6]C)	P[6](N[6]C[6a]C[6])2(Br)	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3)	N[6](C[6a]C[6a]2)(P[6]N[6]Br)(C[6]C[6]C){3|C<4>,4|C<3>}	P[6](N[6]C[6a]C[6])2(Br){2|C<4>,5|C<3>}	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	123.1240	0.905	2	123.1240	0.819	2	123.1240	0.819	2	123.1240	0.819	2	124.3082	1.513	5	122.5684	9.885	7
856	14	762	6:SP2_SP2_SP3	N[6]	P[6]	C[6]	3:3:3:	3:4:1:	3:3:4:	C[6a]-3:P[6]-3:C[6]-3:	N[6]-3:C[6]-4:Cl-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(P[6]C[6]Cl)(C[6]C[6]C)	P[6](N[6]C[6a]C[6])(C[6]C[6]HH)(Cl)	C[6](N[6]C[6a]P[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(P[6]C[6]Cl)(C[6]C[6]C){2|C<4>,3|C<3>,3|H<1>}	P[6](N[6]C[6a]C[6])(C[6]C[6]HH)(Cl){1|C<4>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]P[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	125.6640	0.000	1	125.6640	0.000	1	125.6640	0.000	1	125.6640	0.000	1	124.3082	1.513	5	122.5684	9.885	7
856	14	849	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	4:3:4:	3:3:2:	3:3:2:1:	P[6]-4:P[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:O-2:Se-1:	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH)	P[6](N[6]P[6]C)2(OC[6a])	P[6](N[6]P[6]C)2(OC[6a])(Se)	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH){1|P<4>,2|C<4>}	P[6](N[6]P[6]C)2(OC[6a]){2|Se<1>,1|N<3>,2|O<2>}	P[6](N[6]P[6]C)2(OC[6a])(Se){1|Se<1>,1|N<3>,2|O<2>}	126.7220	0.000	1	126.7220	0.000	1	126.7220	0.000	1	126.7220	0.000	1	126.7220	0.000	1	126.7220	0.000	1
856	14	849	6:SP3_SP3_SP3	N[6]	P[6]	P[6,6]	4:3:4:	3:3:2:	3:3:3:1:	P[6,6]-4:P[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	N[6,6]-3:N[6]-3:N[6]-3:O-1:	N[6](P[6,6]N[6,6]N[6]O)(P[6]N[6]O)(CCHH)	P[6](N[6]P[5,6,6]C)(N[6]P[6,6]C)(OC[6a])	P[6,6](N[6,6]P[5,6,6]C)(N[6]P[6]C)2(O)	N[6](P[6,6]N[6,6]N[6]O)(P[6]N[6]O)(CCHH){1|P<3>,1|P<5>,3|C<4>}	P[6](N[6]P[5,6,6]C)(N[6]P[6,6]C)(OC[6a]){1|O<1>,2|O<2>,3|N<3>}	P[6,6](N[6,6]P[5,6,6]C)(N[6]P[6]C)2(O){2|N<3>,4|O<2>}	121.7895	1.312	2	121.7895	1.721	2	121.7895	1.721	2	121.7895	1.721	2	121.7895	1.721	2	120.1257	9.165	3
856	14	849	6:SP3_SP3_SP3	N[6]	P[6]	P[6]	4:3:4:	3:3:2:	3:3:2:1:	P[6]-4:P[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:O-2:Se-1:	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH)	P[6](N[6]P[6]C)2(OC[6a])	P[6](N[6]P[6]C)2(OC[6a])(Se)	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH){1|P<4>,2|C<4>}	P[6](N[6]P[6]C)2(OC[6a]){2|Se<1>,1|N<3>,2|O<2>}	P[6](N[6]P[6]C)2(OC[6a])(Se){1|Se<1>,1|N<3>,2|O<2>}	116.7980	0.000	1	116.7980	0.000	1	116.7980	0.000	1	116.7980	0.000	1	116.7980	0.000	1	120.1257	9.165	3
856	14	856	6:SP3_SP3_SP3	N[6]	P[6]	N[6]	3:3:4:	3:3:3:	3:3:4:	P[6]-3:N[6]-3:C-4:	C[6a]-3:N[6]-3:N[6]-3:	P[6]-3:N[6]-3:C-4:	N[6](P[6]C[6a]N[6])(N[6]P[6]C)(CH3)	P[6](C[6a]C[6a]2)(N[6]N[6]C)2	N[6](P[6]C[6a]N[6])(N[6]P[6]C)(CH3)	N[6](P[6]C[6a]N[6])(N[6]P[6]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	P[6](C[6a]C[6a]2)(N[6]N[6]C)2{1|P<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](P[6]C[6a]N[6])(N[6]P[6]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	120.4905	0.633	2	120.4905	0.401	2	120.4905	0.401	2	120.4905	0.401	2	120.4905	0.401	2	120.4905	0.401	2
856	14	904	6:SP2_SP-NON_SP3	N[6]	P[6]	P[6]	3:3:2:	3:3:1:	3:3:	C[6a]-3:P[6]-3:P[6]-2:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)(P[6]N[6])	P[6](N[6]C[6a]P[6])2(Cl)	P[6](N[6]C[6a]P[6])2	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)(P[6]N[6]){1|P<3>,2|C<4>,4|C<3>}	P[6](N[6]C[6a]P[6])2(Cl){1|Cl<1>,1|N<3>,4|C<3>}	P[6](N[6]C[6a]P[6])2{2|Cl<1>,1|N<3>,4|C<3>}	132.0010	3.567	2	132.0010	12.721	2	132.0010	12.721	2	132.0010	12.721	2	132.0010	12.721	2	132.0010	12.721	2
856	18	762	0:SP2_SP2_SPD6	N[6]	B[5x3,5x5,20x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(N[6]C[6]2)	C[6](N[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	N[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2{1|C<3>,5|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(N[6]C[6]2){1|C<6>,2|C<3>,7|H<1>}	C[6](N[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,5|B<6>}	120.7488	0.885	4	120.7488	0.784	4	120.7488	0.784	4	120.7488	0.784	4	120.7488	0.784	4	120.7488	0.784	4
856	18	762	6:SP2_SP2_SPD6	N[6]	B[5x3,5x5,21x6]	C[6]	6:3:1:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,21x6]-6:C[6]-3:H-1:	C[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N[6]-3:	N[6]-3:C[6,6a]-3:O-1:	N[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]O)(H)	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[6]C[6]H)	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O)	N[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]O)(H){1|C<6>,2|C<3>,4|B<6>,4|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[6]C[6]H){1|B<6>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<6>,1|F<1>,2|C<3>,4|B<6>}	128.4810	0.000	1	127.6513	0.696	3	127.6513	0.696	3	127.6513	0.696	3	127.6513	0.696	3	127.6513	0.696	3
856	18	762	6:SP2_SP2_SPD6	N[6]	B[5x3,5x5,21x6]	C[6]	6:3:1:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,21x6]-6:C[6]-3:H-1:	C[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N[6]-3:	N[6]-3:C[6,6a]-3:O-1:	N[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]O)(H)	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[6]C[6]H)	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O)	N[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]O)(H){1|C<6>,2|C<3>,4|B<6>,4|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[6]C[6]H){1|B<6>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	127.2365	0.600	2	127.6513	0.696	3	127.6513	0.696	3	127.6513	0.696	3	127.6513	0.696	3	127.6513	0.696	3
856	18	951	0:SP2_SP-NON_SPD6	N[6]	B[5x3,5x5,21x6]	H	6:3:1:	6:6:6:6:6:3:	3:	B[5x3,5x5,21x6]-6:C[6]-3:H-1:	C[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N[6]-3:	N[6]-3:	N[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]O)(H)	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[6]C[6]H)	H(N[6]B[5x3,5x5,21x6]C[6])	N[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]O)(H){1|C<6>,2|C<3>,4|B<6>,4|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[6]C[6]H){1|B<6>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(N[6]B[5x3,5x5,21x6]C[6])	116.2193	0.409	3	116.2193	0.167	3	116.2193	0.167	3	116.2193	0.167	3	116.2193	0.167	3	116.2193	0.167	3
856	74	466	0:SP3_SP2_SP3	N[6]	N[4]	C[6]	4:4:3:	4:3:3:	3:4:1:1:	C[6]-4:C[6]-4:N[4]-3:	C[4]-4:C[4]-3:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(N[4]C[4]2)	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(N[6]C[6]2)	C[6](N[6]C[6]N[4])(C[6]O[6]HH)(H)2	N[6](C[6]C[6]HH)2(N[4]C[4]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(N[6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6]N[4])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	110.5980	0.721	2	110.5980	0.520	2	110.5980	0.520	2	110.5980	0.520	2	110.5980	0.520	2	110.5980	0.520	2
856	106	643	0:SP2_SP2_SP2	N[6]	Si[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Si[6]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Si[6]N[6]P)(C[6]C[6]N)	Si[6](N[6]C[6a]C[6])2(PSi2)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Si[6]N[6]P)(C[6]C[6]N){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(PSi2){2|N<3>,5|C<3>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|P<3>,2|C<3>,2|H<1>,2|N<3>}	115.9410	4.193	2	115.9410	17.582	2	115.9410	17.582	2	115.9410	17.582	2	115.9410	17.582	2	115.9410	17.582	2
856	106	762	6:SP2_SP2_SP2	N[6]	Si[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Si[6]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:	N[6]-3:C[6]-3:N-3:	N[6](C[6a]C[6a]2)(Si[6]N[6]P)(C[6]C[6]N)	Si[6](N[6]C[6a]C[6])2(PSi2)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	N[6](C[6a]C[6a]2)(Si[6]N[6]P)(C[6]C[6]N){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(PSi2){2|N<3>,5|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|P<3>,2|C<3>,2|N<3>}	120.5780	1.611	2	120.5780	2.595	2	120.5780	2.595	2	120.5780	2.595	2	120.5780	2.595	2	120.5780	2.595	2
856	159	762	0:SP2_SP2_SP2	N[6]	Si[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	Si[6a]-3:C[6]-3:C[6]-3:	N[6a]-3:N[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](Si[6a]N[6a]2)(C[6]C[6]H)2	Si[6a](N[6a]C[6a]2)2(N[6]C[6]2)	C[6](N[6]Si[6a]C[6])(C[6]C[6]H)(H)	N[6](Si[6a]N[6a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	Si[6a](N[6a]C[6a]2)2(N[6]C[6]2){1|C<4>,2|H<1>,8|C<3>}	C[6](N[6]Si[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	121.9730	5.661	2	121.9730	32.048	2	121.9730	32.048	2	121.9730	32.048	2	121.9730	32.048	2	121.9730	32.048	2
856	194	762	0:SP2_SP2_SP3	N[6,6]	O[6,6]	C[6]	3:3:3:	4:3:4:	3:3:1:	O[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-3:H-1:	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	O[6,6](C[6,6]C[5,6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]O[6,6])(C[6]C[6]H)(H)	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,3|C<4>,7|H<1>}	O[6,6](C[6,6]C[5,6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]O[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.4630	0.000	1	121.4630	0.000	1	121.4630	0.000	1	121.4630	0.000	1	121.4630	0.000	1	121.4630	0.000	1
856	194	762	6:SP2_SP2_SP3	N[6,6]	O[6,6]	C[6,6]	3:3:3:	4:3:4:	3:4:3:	O[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	O[6,6](C[6,6]C[5,6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](N[6,6]O[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]H)	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,3|C<4>,7|H<1>}	O[6,6](C[6,6]C[5,6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6](N[6,6]O[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1
856	198	643	0:SP2_SP2_SPD5	N[6]	Ga[3,3,6]	C[6a]	5:3:3:	5:3:3:2:2:	3:3:3:	Ga[3,3,6]-5:C[6a]-3:C[6]-3:	Ga[3,3,6]-5:N[6]-3:N[6]-3:O[3]-2:O[3]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2	C[6a](N[6]Ga[3,3,6]C[6])(C[6a]C[6a]C)2	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2{2|C<4>,9|C<3>}	C[6a](N[6]Ga[3,3,6]C[6])(C[6a]C[6a]C)2{1|Ga<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	123.1235	1.370	2	123.1235	1.876	2	123.1235	1.876	2	123.1235	1.876	2	123.1235	1.876	2	123.1235	1.876	2
856	198	762	6:SP2_SP2_SPD5	N[6]	Ga[3,3,6]	C[6]	5:3:3:	5:3:3:2:2:	3:3:4:	Ga[3,3,6]-5:C[6a]-3:C[6]-3:	Ga[3,3,6]-5:N[6]-3:N[6]-3:O[3]-2:O[3]-2:	N[6]-3:C[6]-3:C-4:	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2	C[6](N[6]Ga[3,3,6]C[6a])(C[6]C[6]H)(CH3)	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2{2|C<4>,9|C<3>}	C[6](N[6]Ga[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Ga<5>,1|C<4>,1|N<3>,2|C<3>,2|O<2>}	121.8615	0.897	2	121.8615	0.805	2	121.8615	0.805	2	121.8615	0.805	2	121.8615	0.805	2	121.8615	0.805	2
856	206	206	6:SP2_SP1_SP1	N[6]	C[6]	C[6]	2:2:1:	3:3:	3:2:	C[6]-2:C[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:C[6]-2:	N[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	C[6](N[6]C[6]H)(C[6]C[6])	N[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,1|H<1>}	C[6](N[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	122.5410	0.000	1	122.5410	0.000	1	122.5410	0.000	1	122.5410	0.000	1	122.5410	0.000	1	122.5410	0.000	1
856	206	206	6:SP3_SP1_SP1	N[3x6]	C[6,6]	C[6,6]	2:2:2:	3:2:	3:2:	C[6,6]-2:C[6,6]-2:C[6,6]-2:	N[3x6]-3:C[6,6]-2:	N[3x6]-3:C[6,6]-2:	N[3x6](C[6,6]C[6,6])3	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6])	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6])	N[3x6](C[6,6]C[6,6])3{1|N<3>}	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6]){2|C<2>}	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6]){2|C<2>}	109.2887	2.770	11	109.2887	7.673	11	109.2887	7.673	11	109.2887	7.673	11	109.2746	6.978	12	109.8319	8.264	16
856	206	206	6:SP3_SP1_SP1	N[3x6]	C[6,6]	C[6,6]	2:2:2:	4:3:	4:3:	C[6,6]-2:C[6,6]-2:C[6,6]-2:	C[6,6]-4:N[3x6]-3:	C[6,6]-4:N[3x6]-3:	N[3x6](C[6,6]C[6,6])3	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)	N[3x6](C[6,6]C[6,6])3{1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2){2|C<4>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2){2|C<4>}	109.1190	0.000	1	109.1190	0.000	1	109.1190	0.000	1	109.1190	0.000	1	109.2746	6.978	12	109.8319	8.264	16
856	206	206	6:SP3_SP1_SP1	N[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	N[6]-3:C[6]-2:	N[6]-3:C[6]-2:	N[6](C[6]C[6])2(CC)	C[6](N[6]C[6]C)(C[6]C[6])	C[6](N[6]C[6]C)(C[6]C[6])	N[6](C[6]C[6])2(CC){1|C<3>}	C[6](N[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](N[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	116.1710	0.000	1	116.1710	0.000	1	111.5317	16.143	3	111.5317	16.143	3	111.5040	10.765	4	109.8319	8.264	16
856	206	206	6:SP3_SP1_SP1	N[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	N[6]-3:C[6]-2:	N[6]-3:C[6]-2:	N[6](C[6]C[6])2(CC)	C[6](N[6]C[6]C)(C[6]O[6])	C[6](N[6]C[6]C)(C[6]O[6])	N[6](C[6]C[6])2(CC){1|O<2>}	C[6](N[6]C[6]C)(C[6]O[6]){1|C<2>}	C[6](N[6]C[6]C)(C[6]O[6]){1|C<2>}	109.2120	0.023	2	109.2120	0.001	2	111.5317	16.143	3	111.5317	16.143	3	111.5040	10.765	4	109.8319	8.264	16
856	206	206	6:SP3_SP1_SP1	N[6]	C[6]	C[6]	2:2:4:	3:2:	3:2:	C[6]-2:C[6]-2:C-4:	N[6]-3:C[6]-2:	N[6]-3:C[6]-2:	N[6](C[6]C[6])2(CH3)	C[6](N[6]C[6]C)(C[6]P[6])	C[6](N[6]C[6]C)(C[6]P[6])	N[6](C[6]C[6])2(CH3){1|P<4>}	C[6](N[6]C[6]C)(C[6]P[6]){1|Fe<5>,1|C<2>,1|C<3>}	C[6](N[6]C[6]C)(C[6]P[6]){1|Fe<5>,1|C<2>,1|C<3>}	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	111.5040	10.765	4	109.8319	8.264	16
856	206	466	0:SP2_SP1_SP3	N[6]	C[6]	C[6]	3:4:2:	3:3:	3:4:4:1:	B[6]-3:C[6]-4:C[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-4:C[6]-4:H-1:	N[6](B[6]C[6a]N[6])(C[6]C[6]2H)(C[6]N[6])	C[6](N[6]B[6]C[6])2	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H)	N[6](B[6]C[6a]N[6])(C[6]C[6]2H)(C[6]N[6]){1|B<3>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[6]B[6]C[6])2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	113.3745	0.323	2	113.3745	0.104	2	113.3745	0.104	2	113.3745	0.104	2	113.3745	0.104	2	113.3745	0.104	2
856	206	466	6:SP2_SP1_SP3	N[6,6]	C[6,6]	C[3x6]	4:2:3:	3:4:	3:4:4:4:	C[3x6]-4:C[6,6]-2:C[6a]-3:	N[6,6]-3:C[3x6]-4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6])(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6])(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C){2|C<3>,3|H<1>,4|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){2|C<3>,2|C<4>,3|H<1>}	120.8160	0.000	1	120.8160	0.000	1	120.8160	0.000	1	120.8160	0.000	1	120.8160	0.000	1	125.3096	6.781	11
856	206	466	6:SP2_SP1_SP3	N[6]	C[6]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	C[6](N[6]C[6a]C[6])(N[6]C[6]P)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){1|P<3>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(N[6]C[6]P){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	127.2145	0.103	2	127.2145	0.011	2	125.4567	3.313	6	125.4567	3.313	6	125.7590	5.066	10	125.3096	6.781	11
856	206	466	6:SP2_SP1_SP3	N[6]	C[6]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	C[6](N[6]C[6a]C[6])2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	125.2140	0.000	1	125.2140	0.000	1	125.4567	3.313	6	125.4567	3.313	6	125.7590	5.066	10	125.3096	6.781	11
856	206	466	6:SP2_SP1_SP3	N[6]	C[6]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	C[6](N[6]C[6a]C[6])2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])2{1|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	124.3657	1.836	3	124.3657	3.371	3	125.4567	3.313	6	125.4567	3.313	6	125.7590	5.066	10	125.3096	6.781	11
856	206	466	6:SP2_SP1_SP3	N[6]	C[6]	C[6]	3:4:2:	4:3:	3:4:4:4:	C[6a]-3:C[6]-4:C[6]-2:	C[3x6]-4:N[6]-3:	N[6]-3:C[6]-4:C-4:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[3x6])	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6a]C[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[3x6]){2|C<3>,2|H<1>,5|C<4>}	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6a]C[6]){2|C<3>,4|H<1>,7|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	130.5590	0.000	1	130.5590	0.000	1	130.5590	0.000	1	130.5590	0.000	1	125.7590	5.066	10	125.3096	6.781	11
856	206	466	6:SP2_SP1_SP3	N[6]	C[6]	C[6]	4:2:3:	3:3:	4:3:1:1:	C[6]-4:C[6]-2:P-3:	N[6]-3:N[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6])(PCC)	C[6](N[6]C[6a]C[6])(N[6]C[6]P)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)(C[6]N[6])(PCC){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]P){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|N<3>,2|H<1>}	123.5480	0.000	1	123.5480	0.000	1	123.5480	0.000	1	123.5480	0.000	1	125.7590	5.066	10	125.3096	6.781	11
856	206	466	6:SP2_SP1_SP3	N[6]	C[6]	C[6]	4:2:4:	3:3:	4:3:1:1:	C[6]-4:C[6]-2:C-4:	N[6]-3:N[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH)	C[6](N[6]C[6]C)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH){2|C<4>,2|H<1>}	C[6](N[6]C[6]C)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,2|H<1>}	125.3715	0.504	2	125.3715	0.254	2	125.3715	0.254	2	125.3715	0.254	2	125.7590	5.066	10	125.3096	6.781	11
856	206	466	6:SP3_SP1_SP3	N[6]	C[6]	C[6]	4:2:3:	3:3:	4:3:1:1:	C[6]-4:C[6]-2:P-3:	N[6]-3:N[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6])(PCC)	C[6](N[6]C[6a]C[6])(N[6]C[6]P)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)(C[6]N[6])(PCC){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]P){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|N<3>,2|H<1>}	123.9500	0.000	1	123.9500	0.000	1	123.9500	0.000	1	123.9500	0.000	1	123.9500	0.000	1	123.9500	0.000	1
856	206	474	0:SP2_SP1_SP3	N[6]	C[6]	C[5]	4:3:2:	3:3:	4:3:2:1:	C[5]-4:C[6]-3:C[6]-2:	N[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6])	C[6](N[6]C[5]C[6])(C[6]C[6]C)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	122.3710	0.000	1	122.3710	0.000	1	122.3710	0.000	1	122.3710	0.000	1	122.3710	0.000	1	122.3710	0.000	1
856	206	474	6:SP2_SP1_SP3	N[6]	C[6]	C[5,6]	4:3:2:	3:3:	4:3:4:1:	C[5,6]-4:C[6a]-3:C[6]-2:	N[6]-3:N[6]-3:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6])	C[6](N[6]C[5,6]C[6a])2	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]){3|C<3>,4|C<4>,4|H<1>}	C[6](N[6]C[5,6]C[6a])2{2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	126.1825	2.261	2	126.1825	5.110	2	126.1825	5.110	2	126.1825	5.110	2	126.1825	5.110	2	126.1825	5.110	2
856	206	490	0:SP2_SP1_SP3	N[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:N[6]-3:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C(N[6]C[6]2)(H)3	120.4770	0.000	1	120.4770	0.000	1	119.0685	3.968	2	119.0685	3.968	2	116.7386	3.138	11	116.7386	3.138	11
856	206	490	0:SP2_SP1_SP3	N[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:N[6]-3:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]C)(C[6]C[6])(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]C)(C[6]C[6])(CH3){1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>}	C(N[6]C[6]2)(H)3	117.6600	0.000	1	117.6600	0.000	1	119.0685	3.968	2	119.0685	3.968	2	116.7386	3.138	11	116.7386	3.138	11
856	206	490	0:SP2_SP1_SP3	N[6]	C[6]	C	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-2:C-4:	N[6]-3:N[6]-3:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCHH)	C[6](N[6]C[6,6a]C)2	C(N[6]C[6,6a]C[6])(CC3)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2{3|C<3>}	C(N[6]C[6,6a]C[6])(CC3)(H)2	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	116.7386	3.138	11	116.7386	3.138	11
856	206	490	0:SP2_SP1_SP3	N[6]	C[6]	C	3:2:4:	3:3:	3:4:4:1:	C[6,6a]-3:C[6]-2:C-4:	N[6]-3:N[6]-3:	N[6]-3:C-4:C-4:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	C[6](N[6]C[6,6a]C)2	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2{3|C<3>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	115.8016	0.847	5	115.8016	0.717	5	115.8378	0.582	6	115.8378	0.582	6	116.7386	3.138	11	116.7386	3.138	11
856	206	490	0:SP2_SP1_SP3	N[6]	C[6]	C	3:2:4:	3:3:	3:4:4:1:	C[6,6a]-3:C[6]-2:C-4:	N[6]-3:N[6]-3:	N[6]-3:C-4:C-4:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6,6a]C)	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C[6a])(N[6]C[6,6a]C){5|C<3>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	116.0190	0.000	1	116.0190	0.000	1	115.8378	0.582	6	115.8378	0.582	6	116.7386	3.138	11	116.7386	3.138	11
856	206	490	0:SP2_SP1_SP3	N[6]	C[6]	C	4:2:4:	3:3:	3:4:4:1:	C[6]-4:C[6]-2:C-4:	N[6]-3:N[6]-3:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH)	C[6](N[6]C[6]C)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH){2|C<4>,2|H<1>}	C[6](N[6]C[6]C)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CH3)2(H)	118.1630	0.544	2	118.1630	0.296	2	118.1630	0.296	2	118.1630	0.296	2	116.7386	3.138	11	116.7386	3.138	11
856	206	490	0:SP3_SP1_SP3	N[6]	C[6]	C	2:2:4:	3:2:	3:1:1:1:	C[6]-2:C[6]-2:C-4:	N[6]-3:C[6]-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6])2(CH3)	C[6](N[6]C[6]C)(C[6]P[6])	C(N[6]C[6]2)(H)3	N[6](C[6]C[6])2(CH3){1|P<4>}	C[6](N[6]C[6]C)(C[6]P[6]){1|Fe<5>,1|C<2>,1|C<3>}	C(N[6]C[6]2)(H)3	109.1655	0.510	2	109.1655	0.260	2	109.1655	0.260	2	109.1655	0.260	2	109.1655	0.260	2	109.1655	0.260	2
856	206	618	6:SP2_SP1_SP2	N[6]	C[6]	B[6]	3:4:2:	3:3:	3:3:3:	B[6]-3:C[6]-4:C[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6a]N[6])(C[6]C[6]2H)(C[6]N[6])	C[6](N[6]B[6]C[6])2	B[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]2)	N[6](B[6]C[6a]N[6])(C[6]C[6]2H)(C[6]N[6]){1|B<3>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[6]B[6]C[6])2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	B[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	126.3785	0.011	2	126.3785	0.000	2	126.3785	0.000	2	126.3785	0.000	2	126.3785	0.000	2	126.3785	0.000	2
856	206	643	0:SP2_SP1_SP2	N[6,6]	C[6,6]	C[6a]	4:2:3:	3:4:	3:3:3:	C[3x6]-4:C[6,6]-2:C[6a]-3:	N[6,6]-3:C[3x6]-4:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6])(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6])(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C){2|C<3>,3|H<1>,4|C<4>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,4|C<4>}	119.2810	0.000	1	119.2810	0.000	1	119.2810	0.000	1	119.2810	0.000	1	119.2810	0.000	1	117.1759	6.386	14
856	206	643	0:SP2_SP1_SP2	N[6]	C[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(N[6]C[6,6a]C)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]){1|C<4>,3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C[6a])(N[6]C[6,6a]C){5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>}	114.9670	0.000	1	114.9670	0.000	1	114.9670	0.000	1	115.4465	0.133	4	117.0139	6.521	13	117.1759	6.386	14
856	206	643	0:SP2_SP1_SP2	N[6]	C[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-2:	N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6])	C[6](N[6]C[6a]C[6])2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]){3|C<3>,5|C<4>}	C[6](N[6]C[6a]C[6])2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	115.5720	0.000	1	115.6063	0.046	3	115.6063	0.046	3	115.4465	0.133	4	117.0139	6.521	13	117.1759	6.386	14
856	206	643	0:SP2_SP1_SP2	N[6]	C[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-2:	N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6])	C[6](N[6]C[6a]C[6])2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2{1|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	115.6235	0.299	2	115.6063	0.046	3	115.6063	0.046	3	115.4465	0.133	4	117.0139	6.521	13	117.1759	6.386	14
856	206	643	0:SP2_SP1_SP2	N[6]	C[6]	C[6a]	3:4:2:	3:3:	3:3:3:	C[6a]-3:C[6]-4:C[6]-2:	N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	C[6](N[6]C[6a]C[6])(N[6]C[6]P)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){1|P<3>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(N[6]C[6]P){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.2000	0.520	2	118.2000	0.271	2	118.9675	5.535	6	118.9675	5.535	6	117.0139	6.521	13	117.1759	6.386	14
856	206	643	0:SP2_SP1_SP2	N[6]	C[6]	C[6a]	3:4:2:	3:3:	3:3:3:	C[6a]-3:C[6]-4:C[6]-2:	N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	C[6](N[6]C[6a]C[6])2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])2{1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.2577	2.809	3	119.3512	8.545	4	118.9675	5.535	6	118.9675	5.535	6	117.0139	6.521	13	117.1759	6.386	14
856	206	643	0:SP2_SP1_SP2	N[6]	C[6]	C[6a]	3:4:2:	3:3:	3:3:3:	C[6a]-3:C[6]-4:C[6]-2:	N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	C[6](N[6]C[6a]C[6])2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.6320	0.000	1	119.3512	8.545	4	118.9675	5.535	6	118.9675	5.535	6	117.0139	6.521	13	117.1759	6.386	14
856	206	643	0:SP2_SP1_SP2	N[6]	C[6]	C[6a]	3:4:2:	4:3:	3:3:3:	C[6a]-3:C[6]-4:C[6]-2:	C[3x6]-4:N[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[3x6])	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6a]C[6])	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[3x6]){2|C<3>,2|H<1>,5|C<4>}	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6a]C[6]){2|C<3>,4|H<1>,7|C<4>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,2|H<1>,4|C<4>}	113.7550	0.000	1	113.7550	0.000	1	113.7550	0.000	1	113.7550	0.000	1	117.0139	6.521	13	117.1759	6.386	14
856	206	643	0:SP2_SP1_SP2	N[6]	C[6]	C[6a]	4:3:2:	3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6])	C[6](N[6]C[5,6]C[6a])2	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]){3|C<3>,4|C<4>,4|H<1>}	C[6](N[6]C[5,6]C[6a])2{2|H<1>,3|C<4>,4|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	115.9175	2.104	2	115.9175	4.425	2	115.9175	4.425	2	115.9175	4.425	2	117.0139	6.521	13	117.1759	6.386	14
856	206	643	6:SP2_SP1_SP2	N[6]	C[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	122.6890	0.000	1	122.6890	0.000	1	122.6890	0.000	1	122.6890	0.000	1	124.6429	3.583	10	124.6429	3.583	10
856	206	643	6:SP2_SP1_SP2	N[6]	C[6]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:C-4:	N[6]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	C[6](N[6]C[6,6a]C)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2{3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	125.3222	0.543	5	125.3222	0.295	5	125.3626	0.201	7	125.3626	0.201	7	124.6429	3.583	10	124.6429	3.583	10
856	206	643	6:SP2_SP1_SP2	N[6]	C[6]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:C-4:	N[6]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6,6a]C)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C[6a])(N[6]C[6,6a]C){5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	125.4650	0.000	1	125.4650	0.000	1	125.3626	0.201	7	125.3626	0.201	7	124.6429	3.583	10	124.6429	3.583	10
856	206	643	6:SP2_SP1_SP2	N[6]	C[6]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:C-4:	N[6]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCHH)	C[6](N[6]C[6,6a]C)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2{3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	125.4620	0.000	1	125.4620	0.000	1	125.3626	0.201	7	125.3626	0.201	7	124.6429	3.583	10	124.6429	3.583	10
856	206	643	6:SP2_SP1_SP2	N[6]	C[6]	C[6,6a]	3:2:4:	4:3:	3:3:3:	C[6,6a]-3:C[6]-2:S-4:	C[6,6]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,3|H<1>}	120.0320	0.000	1	120.0320	0.000	1	120.0320	0.000	1	120.0320	0.000	1	124.6429	3.583	10	124.6429	3.583	10
856	206	643	6:SP2_SP1_SP2	N[6]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	N[6]-3:N[6]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(N[6]C[6,6a]C)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]){1|C<4>,3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C[6a])(N[6]C[6,6a]C){5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	126.1700	0.000	1	126.1700	0.000	1	126.1700	0.000	1	126.1700	0.000	1	124.6429	3.583	10	124.6429	3.583	10
856	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:1:	3:2:	4:3:1:	C[6]-3:C[6]-2:C-1:	N[6]-3:C[6]-2:	C[6]-4:N[6]-3:C-1:	N[6](C[6]C[6]C)(C[6]C[6])(C)	C[6](N[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]OU)(N[6]C[6]C)(C)	N[6](C[6]C[6]C)(C[6]C[6])(C){1|U<12>,1|C<4>,1|O<2>}	C[6](N[6]C[6]C)(C[6]C[6]){1|U<12>,1|C<1>,1|C<4>,1|O<2>}	C[6](C[6]C[6]OU)(N[6]C[6]C)(C){1|C<2>,1|O<2>}	121.7840	0.662	2	121.7840	0.438	2	121.7840	0.438	2	121.7840	0.438	2	122.5580	7.195	16	122.5580	7.195	16
856	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:C[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	C[6](N[6]C[6]H)(C[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,2|H<1>}	C[6](N[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	123.1000	0.000	1	123.1000	0.000	1	123.1000	0.000	1	123.1000	0.000	1	122.5580	7.195	16	122.5580	7.195	16
856	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>}	123.1850	0.000	1	122.8260	0.258	2	122.8260	0.258	2	122.8260	0.258	2	122.5580	7.195	16	122.5580	7.195	16
856	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	122.4670	0.000	1	122.8260	0.258	2	122.8260	0.258	2	122.8260	0.258	2	122.5580	7.195	16	122.5580	7.195	16
856	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6a]-3:N[6]-3:C[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(C[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	121.8740	0.000	1	121.8740	0.000	1	121.8740	0.000	1	121.8740	0.000	1	122.5580	7.195	16	122.5580	7.195	16
856	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]H){1|Cu<4>,2|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]H){2|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	118.3890	0.000	1	118.3890	0.000	1	118.3890	0.000	1	118.3890	0.000	1	122.5580	7.195	16	122.5580	7.195	16
856	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:1:	4:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-4:N[6]-3:	N[6]-3:N[6]-2:C-1:	N[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)	C[6](N[6]C[6]H)(N[6]C[6])(C)	N[6](C[6]N[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H){1|C<1>,1|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(C){1|C<4>}	122.7220	0.000	1	122.7220	0.000	1	122.7220	0.000	1	122.7220	0.000	1	122.5580	7.195	16	122.5580	7.195	16
856	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:4:	3:3:	3:2:4:	C[6]-3:C[6]-2:C-4:	C[6]-3:N[6]-3:	N[6]-3:N[6]-2:C-4:	N[6](C[6]N[6]C)(C[6]C[6])(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)	C[6](N[6]C[6]C)(N[6]C[6])(CH3)	N[6](C[6]N[6]C)(C[6]C[6])(CH3){1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>}	C[6](N[6]C[6]C)(N[6]C[6])(CH3){2|C<3>}	121.6790	0.000	1	121.6790	0.000	1	121.6790	0.000	1	121.6790	0.000	1	122.5580	7.195	16	122.5580	7.195	16
856	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	120.2010	0.000	1	120.2010	0.000	1	120.2010	0.000	1	120.2010	0.000	1	122.5580	7.195	16	122.5580	7.195	16
856	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:3:2:	3:2:	3:2:1:	C[5]-3:C[6]-3:C[6]-2:	N[6]-3:C[6]-2:	N[6]-3:N[6]-2:O-1:	N[6](C[5]C[5]O[5])(C[6]N[6]O)(C[6]C[6])	C[6](N[6]C[5]C[6])(C[6]C[6])	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5])(C[6]N[6]O)(C[6]C[6]){1|S<2>,2|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]){1|C<2>,1|N<1>,1|N<2>,1|O<1>,1|O<2>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|N<1>,1|O<2>,2|C<2>}	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	122.5580	7.195	16	122.5580	7.195	16
856	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6])	C[6](N[6]C[6a]C[6])2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]){3|C<3>,5|C<4>}	C[6](N[6]C[6a]C[6])2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|H<1>}	126.1610	0.000	1	127.1840	0.785	3	127.1840	0.785	3	127.1840	0.785	3	122.5580	7.195	16	122.5580	7.195	16
856	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6])	C[6](N[6]C[6a]C[6])2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2{1|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	127.6955	0.030	2	127.1840	0.785	3	127.1840	0.785	3	127.1840	0.785	3	122.5580	7.195	16	122.5580	7.195	16
856	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	4:3:2:	3:2:	3:2:4:	B[5]-4:C[6]-3:C[6]-2:	N[6]-3:C[6]-2:	N[6]-3:C[6]-2:C-4:	N[6](B[5]C[5,6a]2C)(C[6]C[6]C)(C[6]C[6])	C[6](N[6]B[5]C[6])(C[6]C[6])	C[6](N[6]B[5]C[6])(C[6]C[6])(CB[5]HH)	N[6](B[5]C[5,6a]2C)(C[6]C[6]C)(C[6]C[6]){1|C<2>,4|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]){1|C<2>,2|C<3>,2|C<4>}	C[6](N[6]B[5]C[6])(C[6]C[6])(CB[5]HH){1|C<2>,1|C<4>,2|C<3>}	119.0450	0.000	1	119.0450	0.000	1	119.0450	0.000	1	119.0450	0.000	1	122.5580	7.195	16	122.5580	7.195	16
856	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	4:3:2:	3:3:	3:2:1:	C[5]-4:C[6]-3:C[6]-2:	N[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6])	C[6](N[6]C[5]C[6])(C[6]C[6]C)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	120.7560	0.000	1	120.7560	0.000	1	120.7560	0.000	1	120.7560	0.000	1	122.5580	7.195	16	122.5580	7.195	16
856	206	786	0:SP2_SP1_SP3	N[6]	C[6]	B[5]	4:3:2:	3:2:	3:3:3:4:	B[5]-4:C[6]-3:C[6]-2:	N[6]-3:C[6]-2:	C[5,6a]-3:C[5,6a]-3:N[6]-3:C-4:	N[6](B[5]C[5,6a]2C)(C[6]C[6]C)(C[6]C[6])	C[6](N[6]B[5]C[6])(C[6]C[6])	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(CC[6]HH)	N[6](B[5]C[5,6a]2C)(C[6]C[6]C)(C[6]C[6]){1|C<2>,4|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]){1|C<2>,2|C<3>,2|C<4>}	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(CC[6]HH){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	115.4070	0.000	1	115.4070	0.000	1	115.4070	0.000	1	115.4070	0.000	1	115.4070	0.000	1	115.4070	0.000	1
856	206	818	0:SP2_SP1_SP2	N[6]	C[6]	C[5]	3:3:2:	3:2:	3:2:2:	C[5]-3:C[6]-3:C[6]-2:	N[6]-3:C[6]-2:	N[6]-3:C[5]-2:O[5]-2:	N[6](C[5]C[5]O[5])(C[6]N[6]O)(C[6]C[6])	C[6](N[6]C[5]C[6])(C[6]C[6])	C[5](N[6]C[6]2)(C[5]S[5])(O[5]C[5])	N[6](C[5]C[5]O[5])(C[6]N[6]O)(C[6]C[6]){1|S<2>,2|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]){1|C<2>,1|N<1>,1|N<2>,1|O<1>,1|O<2>}	C[5](N[6]C[6]2)(C[5]S[5])(O[5]C[5]){1|N<2>,1|O<1>,2|C<2>}	120.5140	0.000	1	120.5140	0.000	1	120.5140	0.000	1	120.5140	0.000	1	120.5140	0.000	1	120.5140	0.000	1
856	206	899	0:SP2_SP-NON_SP1	N[6]	C[6]	C	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:C-1:	N[6]-3:C[6]-2:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6])(C)	C[6](N[6]C[6]C)(C[6]C[6])	C(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6])(C){1|U<12>,1|C<4>,1|O<2>}	C[6](N[6]C[6]C)(C[6]C[6]){1|U<12>,1|C<1>,1|C<4>,1|O<2>}	C(N[6]C[6]2)	118.3095	0.244	2	118.3095	0.060	2	118.3095	0.060	2	118.3095	0.060	2	118.3095	0.060	2	118.3095	0.060	2
856	206	945	0:SP2_SP1_SP3	N[6]	C[6]	P	4:2:3:	3:3:	3:4:4:	C[6]-4:C[6]-2:P-3:	N[6]-3:N[6]-3:	N[6]-3:C-4:C-4:	N[6](C[6]C[6]HH)(C[6]N[6])(PCC)	C[6](N[6]C[6a]C[6])(N[6]C[6]P)	P(N[6]C[6]2)(CC3)2	N[6](C[6]C[6]HH)(C[6]N[6])(PCC){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]P){1|C<4>,2|C<3>,4|H<1>}	P(N[6]C[6]2)(CC3)2	122.0360	0.000	1	122.0360	0.000	1	122.0360	0.000	1	122.0360	0.000	1	122.0360	0.000	1	122.0360	0.000	1
856	206	945	0:SP3_SP1_SP3	N[6]	C[6]	P	4:2:3:	3:3:	3:4:4:	C[6]-4:C[6]-2:P-3:	N[6]-3:N[6]-3:	N[6]-3:C-4:C-4:	N[6](C[6]C[6]HH)(C[6]N[6])(PCC)	C[6](N[6]C[6a]C[6])(N[6]C[6]P)	P(N[6]C[6]2)(CC3)2	N[6](C[6]C[6]HH)(C[6]N[6])(PCC){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]P){1|C<4>,2|C<3>,4|H<1>}	P(N[6]C[6]2)(CC3)2	121.5120	0.000	1	121.5120	0.000	1	121.5120	0.000	1	121.5120	0.000	1	121.5120	0.000	1	121.5120	0.000	1
856	206	951	0:SP2_SP-NON_SP1	N[6]	C[6]	H	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:H-1:	N[6]-3:C[6]-2:	N[6]-3:	N[6](C[6]C[6])2(H)	C[6](N[6]C[6]H)(C[6]C[6])	H(N[6]C[6]2)	N[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	H(N[6]C[6]2)	126.7140	0.000	1	126.7140	0.000	1	126.7140	0.000	1	126.7140	0.000	1	118.3951	29.123	9	118.3951	29.123	9
856	206	951	0:SP2_SP-NON_SP1	N[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,1|H<1>}	H(N[6]C[6]2)	110.0050	0.000	1	110.0050	0.000	1	110.0050	0.000	1	110.0050	0.000	1	118.3951	29.123	9	118.3951	29.123	9
856	206	951	0:SP2_SP-NON_SP1	N[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,2|C<3>}	H(N[6]C[6,6a]C[6])	119.0360	0.000	1	119.0360	0.000	1	119.0360	0.000	1	118.3647	18.663	6	118.3951	29.123	9	118.3951	29.123	9
856	206	951	0:SP2_SP-NON_SP1	N[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]H){1|Cu<4>,2|C<3>}	H(N[6]C[6]2)	120.7340	0.000	1	120.7340	0.000	1	118.2304	23.194	5	118.3647	18.663	6	118.3951	29.123	9	118.3951	29.123	9
856	206	951	0:SP2_SP-NON_SP1	N[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,2|H<1>}	H(N[6]C[6]2)	118.4330	0.000	1	116.4580	34.583	3	118.2304	23.194	5	118.3647	18.663	6	118.3951	29.123	9	118.3951	29.123	9
856	206	951	0:SP2_SP-NON_SP1	N[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	121.0970	0.000	1	116.4580	34.583	3	118.2304	23.194	5	118.3647	18.663	6	118.3951	29.123	9	118.3951	29.123	9
856	206	951	0:SP2_SP-NON_SP1	N[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	109.8440	0.000	1	116.4580	34.583	3	118.2304	23.194	5	118.3647	18.663	6	118.3951	29.123	9	118.3951	29.123	9
856	206	951	0:SP2_SP-NON_SP1	N[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	121.0440	0.000	1	121.0440	0.000	1	118.2304	23.194	5	118.3647	18.663	6	118.3951	29.123	9	118.3951	29.123	9
856	206	951	0:SP2_SP-NON_SP1	N[6]	C[6]	H	3:2:1:	4:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]N[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H){1|C<1>,1|N<2>}	H(N[6]C[6]2)	118.6490	0.000	1	118.6490	0.000	1	118.6490	0.000	1	118.6490	0.000	1	118.3951	29.123	9	118.3951	29.123	9
856	206	952	0:SP2_SP1_SP3	N[6]	C[6]	S	3:2:4:	4:3:	3:3:1:1:	C[6,6a]-3:C[6]-2:S-4:	C[6,6]-4:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S){1|O<2>,2|H<1>,4|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	115.7850	0.000	1	115.7850	0.000	1	115.7850	0.000	1	115.7850	0.000	1	115.7850	0.000	1	115.7850	0.000	1
856	206	983	0:SP3_SP1_SP1	N[6]	C[6]	C	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	N[6]-3:C[6]-2:	N[6]-3:C-2:	N[6](C[6]C[6])2(CC)	C[6](N[6]C[6]C)(C[6]C[6])	C(N[6]C[6]2)(CC)	N[6](C[6]C[6])2(CC){1|C<3>}	C[6](N[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C(N[6]C[6]2)(CC)	121.5280	5.896	2	121.5280	34.761	2	121.5280	34.761	2	121.5280	34.761	2	114.6713	35.960	6	114.6713	35.960	6
856	206	983	0:SP3_SP1_SP1	N[6]	C[6]	C	2:2:2:	3:2:	3:3:	C[6]-2:C[6]-2:C-2:	N[6]-3:C[6]-2:	N[6]-3:C-3:	N[6](C[6]C[6])2(CC)	C[6](N[6]C[6]C)(C[6]O[6])	C(N[6]C[6]2)(CBrC)	N[6](C[6]C[6])2(CC){1|O<2>}	C[6](N[6]C[6]C)(C[6]O[6]){1|C<2>}	C(N[6]C[6]2)(CBrC)	110.6135	1.060	2	110.6135	1.124	2	111.2430	1.332	4	111.2430	1.332	4	114.6713	35.960	6	114.6713	35.960	6
856	206	983	0:SP3_SP1_SP1	N[6]	C[6]	C	2:2:2:	3:2:	3:3:	C[6]-2:C[6]-2:C-2:	N[6]-3:C[6]-2:	N[6]-3:C-3:	N[6](C[6]C[6])2(CC)	C[6](N[6]C[6]C)(C[6]O[6])	C(N[6]C[6]2)(CCN)	N[6](C[6]C[6])2(CC){1|O<2>}	C[6](N[6]C[6]C)(C[6]O[6]){1|C<2>}	C(N[6]C[6]2)(CCN)	111.8725	1.135	2	111.8725	1.288	2	111.2430	1.332	4	111.2430	1.332	4	114.6713	35.960	6	114.6713	35.960	6
856	210	762	0:SP2_SP1_SP2	N[6]	Ge	C[6]	3:3:2:	3:1:	3:3:3:	C[6]-3:C[6]-3:Ge-2:	N[6]-3:Cl-1:	N[6]-3:C[6]-3:C-3:	N[6](C[6]C[6]C)2(GeCl)	Ge(N[6]C[6]2)(Cl)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN)	N[6](C[6]C[6]C)2(GeCl){1|C<3>,2|H<1>}	Ge(N[6]C[6]2)(Cl)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	119.9210	0.065	2	119.9210	0.004	2	119.9210	0.004	2	119.9210	0.004	2	119.9210	0.004	2	119.9210	0.004	2
856	217	466	0:SP3_SP2_SP3	N[6]	N[6a]	C[6]	3:4:4:	3:3:3:	3:4:1:1:	N[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](N[6a]C[6a]2)(C[6]C[6]HH)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6](N[6]N[6a]C[6])(C[6]O[6]HH)(H)2	N[6](N[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](N[6]N[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	110.5800	0.075	2	110.5800	0.006	2	110.5800	0.006	2	110.5800	0.006	2	110.5800	0.006	2	110.5800	0.006	2
856	217	466	6:SP3_SP2_SP3	N[6]	N[6,6a]	C[6]	3:4:4:	3:3:3:	3:2:1:1:	N[6,6a]-3:C[6]-4:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:H-1:H-1:	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](N[6]N[6,6a]C)(O[6]C[6,6a])(H)2	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3){1|H<1>,3|C<3>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]N[6,6a]C)(O[6]C[6,6a])(H)2{3|C<3>}	106.7390	0.000	1	106.7390	0.000	1	106.7390	0.000	1	106.7390	0.000	1	106.7390	0.000	1	106.7390	0.000	1
856	217	490	0:SP3_SP2_SP3	N[6]	N[6,6a]	C	3:4:4:	3:3:3:	3:1:1:1:	N[6,6a]-3:C[6]-4:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:H-1:H-1:H-1:	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]N[6,6a]C[6])(H)3	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3){1|H<1>,3|C<3>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	C(N[6]N[6,6a]C[6])(H)3	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1
856	217	762	0:SP2_SP2_SP2	N[6]	N[6a]	C[6]	3:3:3:	3:3:3:	3:2:4:	C[6]-3:N[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6,6a]S)(N[6a]C[6a]2)(C[6]N[6]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2)	C[6](N[6]N[6a]C[6])(N[6]C[6,6a])(CH3)	N[6](C[6]C[6,6a]S)(N[6a]C[6a]2)(C[6]N[6]C){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2){1|C<4>,1|N<2>,1|S<1>,3|C<3>}	C[6](N[6]N[6a]C[6])(N[6]C[6,6a])(CH3){1|S<1>,4|C<3>}	116.9240	0.000	2	116.9240	0.000	2	116.9240	0.000	2	116.9240	0.000	2	116.7630	0.035	4	116.7630	0.035	4
856	217	762	0:SP2_SP2_SP2	N[6]	N[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:S-1:	N[6](C[6]C[6,6a]S)(N[6a]C[6a]2)(C[6]N[6]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6a]C[6])(S)	N[6](C[6]C[6,6a]S)(N[6a]C[6a]2)(C[6]N[6]C){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2){1|C<4>,1|N<2>,1|S<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6a]C[6])(S){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	116.6020	0.000	2	116.6020	0.000	2	116.6020	0.000	2	116.6020	0.000	2	116.7630	0.035	4	116.7630	0.035	4
856	218	762	0:SP2_SP2_SPD6	N[6]	Ge[4x6]	C[6]	6:3:3:	3:3:3:3:3:3:	3:3:1:	Ge[4x6]-6:C[6]-3:C[6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[6]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](Ge[4x6]N[5a,6,6]4N[6])(C[6]C[6]H)2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2)2	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H)	N[6](Ge[4x6]N[5a,6,6]4N[6])(C[6]C[6]H)2{11|C<3>,2|H<1>}	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2)2{12|C<3>,4|H<1>,4|N<2>}	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,5|N<3>}	121.7160	0.782	2	121.7160	0.612	2	121.7160	0.612	2	121.7160	0.612	2	121.7160	0.612	2	121.7160	0.612	2
856	242	762	0:SP2_SP2_SPD5	N[6]	Ge[4x6]	C[6]	5:3:3:	3:3:3:3:3:	3:3:1:	Ge[4x6]-5:C[6]-3:C[6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](Ge[4x6]N[5a,6,6]4)(C[6]C[6]H)2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2)	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H)	N[6](Ge[4x6]N[5a,6,6]4)(C[6]C[6]H)2{2|H<1>,9|C<3>}	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2){14|C<3>,2|H<1>}	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|N<3>}	120.2165	0.865	2	120.2165	0.748	2	120.2165	0.748	2	120.2165	0.748	2	120.2165	0.748	2	120.2165	0.748	2
856	254	310	0:SP2_SP3_SP3	N[6]	Ge[6]	Ge	4:3:4:	3:3:1:1:	3:1:1:1:	Ge[6]-4:C[6]-3:Ge-4:	N[6]-3:N[6]-3:Cl-1:Cl-1:	N[6]-3:Cl-1:Cl-1:Cl-1:	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(GeCl3)	Ge[6](N[6]C[6]Ge)(N[6]C[6]H)(Cl)2	Ge(N[6]Ge[6]C[6])(Cl)3	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(GeCl3){1|C<3>,2|H<1>}	Ge[6](N[6]C[6]Ge)(N[6]C[6]H)(Cl)2{1|C<3>,2|N<3>}	Ge(N[6]Ge[6]C[6])(Cl)3	136.5560	0.000	1	136.5560	0.000	1	136.5560	0.000	1	136.5560	0.000	1	136.5560	0.000	1	136.5560	0.000	1
856	254	466	6:SP2_SP3_SP3	N[6]	Ge[6]	C[6]	4:3:4:	3:3:2:2:	3:4:1:1:	Ge[6]-4:B[5a]-3:C[6]-4:	N[6]-3:N[6]-3:O-2:O-2:	N[6]-3:C[6]-4:H-1:H-1:	N[6](Ge[6]N[6]OO)(B[5a]N[5a]2)(C[6]C[6]HH)	Ge[6](N[6]B[5a]C[6])2(OC)(OH)	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2	N[6](Ge[6]N[6]OO)(B[5a]N[5a]2)(C[6]C[6]HH){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	Ge[6](N[6]B[5a]C[6])2(OC)(OH){1|C<4>,4|H<1>,4|N<3>}	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|N<3>}	110.1505	1.242	2	110.1505	1.544	2	110.1505	1.544	2	110.1505	1.544	2	110.1505	1.544	2	110.1505	1.544	2
856	254	643	0:SP2_SP2_SP3	N[6]	Ge[6]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Cl-1:S-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]N[6]ClS)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(Cl)(S)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]N[6]ClS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(Cl)(S){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	118.8510	1.155	4	118.8510	1.333	4	118.8510	1.333	4	119.0830	1.755	10	120.2676	3.148	31	120.2676	3.148	31
856	254	643	0:SP2_SP2_SP3	N[6]	Ge[6]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Cl-1:Se-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]N[6]ClSe)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(Cl)(Se)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]N[6]ClSe)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(Cl)(Se){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|Se<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8800	0.424	2	120.8800	0.180	2	120.8800	0.180	2	119.0830	1.755	10	120.2676	3.148	31	120.2676	3.148	31
856	254	643	0:SP2_SP2_SP3	N[6]	Ge[6]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:F-1:S-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]N[6]FS)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(F)(S)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]N[6]FS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(F)(S){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|F<1>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	118.4165	1.027	4	118.4165	1.055	4	118.4165	1.055	4	119.0830	1.755	10	120.2676	3.148	31	120.2676	3.148	31
856	254	643	0:SP2_SP2_SP3	N[6]	Ge[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:S-2:S-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(SH)(S)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(SH)(S){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	121.0565	0.375	2	121.0565	0.141	2	120.3492	0.944	4	120.3492	0.944	4	120.2676	3.148	31	120.2676	3.148	31
856	254	643	0:SP2_SP2_SP3	N[6]	Ge[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:S-2:S-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(SP)(S)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(SP)(S){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	119.6420	0.830	2	119.6420	0.689	2	120.3492	0.944	4	120.3492	0.944	4	120.2676	3.148	31	120.2676	3.148	31
856	254	643	0:SP2_SP2_SP3	N[6]	Ge[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[5]-3:O-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(C[5]N[5]2)(O)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(C[5]N[5]2)(O){3|C<4>,8|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	120.1160	0.122	2	119.4098	0.750	4	119.4098	0.750	4	119.8976	0.791	10	120.2676	3.148	31	120.2676	3.148	31
856	254	643	0:SP2_SP2_SP3	N[6]	Ge[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[5]-3:O-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(C[5]N[5]2)(O)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(C[5]N[5]2)(O){3|C<4>,8|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	118.7035	0.490	2	119.4098	0.750	4	119.4098	0.750	4	119.8976	0.791	10	120.2676	3.148	31	120.2676	3.148	31
856	254	643	0:SP2_SP2_SP3	N[6]	Ge[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:Se-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]N[6]SeP)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(PC[6]2)(Se)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]N[6]SeP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(PC[6]2)(Se){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Se<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	120.4155	0.457	4	120.4155	0.209	4	120.2228	0.656	6	119.8976	0.791	10	120.2676	3.148	31	120.2676	3.148	31
856	254	643	0:SP2_SP2_SP3	N[6]	Ge[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:Se-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]N[6]SeP)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(PSi2)(Se)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]N[6]SeP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(PSi2)(Se){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Se<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	119.8375	1.486	2	119.8375	2.207	2	120.2228	0.656	6	119.8976	0.791	10	120.2676	3.148	31	120.2676	3.148	31
856	254	643	0:SP2_SP2_SP3	N[6]	Ge[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:N-3:C-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]C[6]CN)(C[6a]C[6a]2)(C[6]S[6]N)	Ge[6](N[6]C[6a]C[6])(C[6]Ga[6]C)(NCC)(CC)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]H)2	N[6](Ge[6]C[6]CN)(C[6a]C[6a]2)(C[6]S[6]N){1|Ga<4>,2|H<1>,3|C<3>}	Ge[6](N[6]C[6a]C[6])(C[6]Ga[6]C)(NCC)(CC){1|N<3>,1|S<2>,2|C<3>,2|C<4>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]H)2{1|C<2>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	120.9990	0.000	1	120.9990	0.000	1	120.9990	0.000	1	123.0067	4.421	3	120.2676	3.148	31	120.2676	3.148	31
856	254	643	0:SP2_SP2_SP3	N[6]	Ge[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:N-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NSiH)(NSi)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NSiH)(NSi){1|C<4>,6|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	125.1930	0.000	1	124.0105	2.797	2	124.0105	2.797	2	123.0067	4.421	3	120.2676	3.148	31	120.2676	3.148	31
856	254	643	0:SP2_SP2_SP3	N[6]	Ge[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:N-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NSiH)(NSi)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NSiH)(NSi){1|C<4>,6|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<2>,2|H<1>,2|N<3>,3|C<3>}	122.8280	0.000	1	124.0105	2.797	2	124.0105	2.797	2	123.0067	4.421	3	120.2676	3.148	31	120.2676	3.148	31
856	254	643	0:SP2_SP2_SP3	N[6]	Ge[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C-4:S-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]N[6]CS)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(CH3)(S)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]N[6]CS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(CH3)(S){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	122.0185	1.795	4	122.0185	3.222	4	122.0185	3.222	4	122.0185	3.222	4	120.2676	3.148	31	120.2676	3.148	31
856	254	643	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:Ge[6]-4:P-4:	N[6]-3:N[6]-3:Cl-1:S-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(Ge[6]N[6]ClS)(PC3)	Ge[6](N[6]C[6,6a]P)2(Cl)(S)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]Ge[6]P)	N[6](C[6,6a]C[6,6a,6a]C[6a])(Ge[6]N[6]ClS)(PC3){1|H<1>,1|P<4>,3|C<3>}	Ge[6](N[6]C[6,6a]P)2(Cl)(S){3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]Ge[6]P){1|Cl<1>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	113.4000	0.014	2	113.4000	0.000	2	113.4000	0.000	2	113.4000	0.000	2	113.4000	0.000	2	113.4000	0.000	2
856	254	762	0:SP2_SP2_SP3	N[6,6]	Ge[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	Ge[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-3:B-4:Cl-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](Ge[6]N[6]ClB)(C[6,6]C[6]2)(C[6]C[6]H)	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BC[6a]3)(Cl)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](Ge[6]N[6]ClB)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BC[6a]3)(Cl){1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Cl<1>,1|B<4>,1|H<1>,1|N<3>,2|C<3>}	124.5770	0.000	1	124.5770	0.000	1	124.5770	0.000	1	122.8760	5.787	2	122.8760	5.787	2	122.8760	5.787	2
856	254	762	0:SP2_SP2_SP3	N[6,6]	Ge[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	Ge[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-3:B-4:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](Ge[6]N[6]BH)(C[6,6]C[6]2)(C[6]C[6]H)	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BH3)(H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](Ge[6]N[6]BH)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BH3)(H){1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	121.1750	0.000	1	121.1750	0.000	1	121.1750	0.000	1	122.8760	5.787	2	122.8760	5.787	2	122.8760	5.787	2
856	254	762	6:SP2_SP2_SP3	N[6,6]	Ge[6]	C[6,6]	4:3:3:	3:3:4:1:	3:3:3:	Ge[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-3:B-4:Cl-1:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6](Ge[6]N[6]ClB)(C[6,6]C[6]2)(C[6]C[6]H)	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BC[6a]3)(Cl)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	N[6,6](Ge[6]N[6]ClB)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BC[6a]3)(Cl){1|H<1>,4|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Cl<1>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	113.6130	0.000	1	113.6130	0.000	1	113.6130	0.000	1	115.7280	8.946	2	115.7280	8.946	2	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6,6]	Ge[6]	C[6,6]	4:3:3:	3:3:4:1:	3:3:3:	Ge[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-3:B-4:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6](Ge[6]N[6]BH)(C[6,6]C[6]2)(C[6]C[6]H)	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BH3)(H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	N[6,6](Ge[6]N[6]BH)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BH3)(H){1|H<1>,4|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	115.7280	8.946	2	115.7280	8.946	2	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:1:	3:3:1:1:	3:3:3:	Ge[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:Cl-1:Cl-1:	N[6]-3:C[6]-3:N-3:	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(H)	Ge[6](N[6]C[6]Ge)(N[6]C[6]H)(Cl)2	C[6](N[6]Ge[6]H)(C[6]C[6]H)(NCC)	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(H){1|Ge<4>,1|C<3>,1|H<1>}	Ge[6](N[6]C[6]Ge)(N[6]C[6]H)(Cl)2{1|C<3>,2|N<3>}	C[6](N[6]Ge[6]H)(C[6]C[6]H)(NCC){2|Cl<1>,2|N<3>}	120.5980	0.000	1	120.5980	0.000	1	120.5980	0.000	1	120.5980	0.000	1	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:3:	3:3:1:1:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Cl-1:S-1:	N[6]-3:C[6]-3:C-4:	N[6](Ge[6]N[6]ClS)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(Cl)(S)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](Ge[6]N[6]ClS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(Cl)(S){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|S<1>,2|C<3>}	120.2740	0.042	4	120.2740	0.002	4	120.2740	0.002	4	120.2835	0.315	10	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:3:	3:3:1:1:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Cl-1:Se-1:	N[6]-3:C[6]-3:C-4:	N[6](Ge[6]N[6]ClSe)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(Cl)(Se)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](Ge[6]N[6]ClSe)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(Cl)(Se){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Se<1>,1|C<4>,1|N<3>,2|C<3>}	119.4725	0.599	2	119.4725	0.359	2	119.4725	0.359	2	120.2835	0.315	10	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:3:	3:3:1:1:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:F-1:S-1:	N[6]-3:C[6]-3:C-4:	N[6](Ge[6]N[6]FS)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(F)(S)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](Ge[6]N[6]FS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(F)(S){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|S<1>,2|C<3>}	120.6985	0.394	4	120.6985	0.155	4	120.6985	0.155	4	120.2835	0.315	10	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:3:	3:3:2:1:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:S-2:S-1:	N[6]-3:C[6]-3:C-4:	N[6](Ge[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(SH)(S)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](Ge[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(SH)(S){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	118.1960	0.322	2	118.1960	0.104	2	118.9765	0.847	4	118.9765	0.847	4	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:3:	3:3:2:1:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:S-2:S-1:	N[6]-3:C[6]-3:C-4:	N[6](Ge[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(SP)(S)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](Ge[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(SP)(S){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	119.7570	0.011	2	119.7570	0.000	2	118.9765	0.847	4	118.9765	0.847	4	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[5]-3:O-1:	N[6]-3:C[6]-3:C-3:	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(C[5]N[5]2)(O)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(C[5]N[5]2)(O){3|C<4>,8|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	122.9105	0.069	2	122.9105	0.005	2	122.9105	0.005	2	122.9105	0.005	2	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[5]-3:O-1:	N[6]-3:C[6]-3:C-4:	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(C[5]N[5]2)(O)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(C[5]N[5]2)(O){3|C<4>,8|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,1|O<1>,4|C<3>}	119.7295	0.062	2	119.7295	0.004	2	119.7295	0.004	2	119.2212	0.930	8	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:Se-1:	N[6]-3:C[6]-3:C-4:	N[6](Ge[6]N[6]SeP)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(PC[6]2)(Se)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](Ge[6]N[6]SeP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(PC[6]2)(Se){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Se<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	118.6098	1.043	4	118.6098	1.088	4	119.0518	1.163	6	119.2212	0.930	8	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:Se-1:	N[6]-3:C[6]-3:C-4:	N[6](Ge[6]N[6]SeP)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(PSi2)(Se)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](Ge[6]N[6]SeP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(PSi2)(Se){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Se<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	119.9360	0.454	2	119.9360	0.206	2	119.0518	1.163	6	119.2212	0.930	8	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:3:	3:3:3:2:	3:2:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:N-3:C-2:	N[6]-3:S[6]-2:N-3:	N[6](Ge[6]C[6]CN)(C[6a]C[6a]2)(C[6]S[6]N)	Ge[6](N[6]C[6a]C[6])(C[6]Ga[6]C)(NCC)(CC)	C[6](N[6]C[6a]Ge[6])(S[6]Ga[6])(NCC)	N[6](Ge[6]C[6]CN)(C[6a]C[6a]2)(C[6]S[6]N){1|Ga<4>,2|H<1>,3|C<3>}	Ge[6](N[6]C[6a]C[6])(C[6]Ga[6]C)(NCC)(CC){1|N<3>,1|S<2>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]Ge[6])(S[6]Ga[6])(NCC){1|C<2>,1|N<3>,2|C<4>,3|C<3>}	120.3460	0.000	1	120.3460	0.000	1	120.3460	0.000	1	120.3460	0.000	1	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:3:	3:3:3:2:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:N-2:	N[6]-3:C[6]-3:C-3:	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NSiH)(NSi)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NSiH)(NSi){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	117.9960	0.000	1	117.9960	0.000	1	117.9960	0.000	1	117.9960	0.000	1	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:3:	3:3:3:2:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:N-2:	N[6]-3:C[6]-3:C-4:	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NSiH)(NSi)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NSiH)(NSi){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<2>,2|N<3>,3|C<3>}	114.6330	0.000	1	114.6330	0.000	1	114.6330	0.000	1	114.6330	0.000	1	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:3:	3:3:4:1:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C-4:S-1:	N[6]-3:C[6]-3:C-4:	N[6](Ge[6]N[6]CS)(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(CH3)(S)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](Ge[6]N[6]CS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(CH3)(S){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	117.5970	0.087	4	117.5970	0.007	4	117.5970	0.007	4	117.5970	0.007	4	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:4:	3:3:1:1:	3:3:3:	Ge[6]-4:C[6]-3:Ge-4:	N[6]-3:N[6]-3:Cl-1:Cl-1:	N[6]-3:C[6]-3:N-3:	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(GeCl3)	Ge[6](N[6]C[6]Ge)(N[6]C[6]H)(Cl)2	C[6](N[6]Ge[6]Ge)(C[6]C[6]H)(NCC)	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(GeCl3){1|C<3>,2|H<1>}	Ge[6](N[6]C[6]Ge)(N[6]C[6]H)(Cl)2{1|C<3>,2|N<3>}	C[6](N[6]Ge[6]Ge)(C[6]C[6]H)(NCC){2|Cl<1>,2|N<3>}	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:4:	3:3:4:1:	3:3:3:	Ge[6]-4:C[6]-3:Si-4:	N[6,6]-3:N[6]-3:B-4:Cl-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6](Ge[6]N[6,6]ClB)(C[6]C[6a]C[6])(SiC3)	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BC[6a]3)(Cl)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	N[6](Ge[6]N[6,6]ClB)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BC[6a]3)(Cl){1|H<1>,4|C<3>}	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Cl<1>,1|B<4>,1|N<3>,2|H<1>,3|C<3>}	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	110.4080	5.544	2	118.8070	7.603	35	118.6406	7.927	37
856	254	762	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:4:	3:3:4:1:	3:3:3:	Ge[6]-4:C[6]-3:Si-4:	N[6,6]-3:N[6]-3:B-4:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6](Ge[6]N[6,6]BH)(C[6]C[6a]C[6])(SiC3)	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BH3)(H)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	N[6](Ge[6]N[6,6]BH)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BH3)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	112.0730	0.000	1	112.0730	0.000	1	112.0730	0.000	1	110.4080	5.544	2	118.8070	7.603	35	118.6406	7.927	37
856	254	880	0:SP2_SP3_SP3	N[6]	Ge[6]	Si	4:3:4:	3:3:4:1:	3:4:4:4:	Ge[6]-4:C[6]-3:Si-4:	N[6,6]-3:N[6]-3:B-4:Cl-1:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6]ClB)(C[6]C[6a]C[6])(SiC3)	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BC[6a]3)(Cl)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6]ClB)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BC[6a]3)(Cl){1|H<1>,4|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	124.8150	0.000	1	124.8150	0.000	1	124.8150	0.000	1	122.8860	7.442	2	122.8860	7.442	2	122.8860	7.442	2
856	254	880	0:SP2_SP3_SP3	N[6]	Ge[6]	Si	4:3:4:	3:3:4:1:	3:4:4:4:	Ge[6]-4:C[6]-3:Si-4:	N[6,6]-3:N[6]-3:B-4:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6]BH)(C[6]C[6a]C[6])(SiC3)	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BH3)(H)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6]BH)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	Ge[6](N[6,6]C[6,6]C[6])(N[6]C[6]Si)(BH3)(H){1|H<1>,4|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	120.9570	0.000	1	120.9570	0.000	1	120.9570	0.000	1	122.8860	7.442	2	122.8860	7.442	2	122.8860	7.442	2
856	254	951	0:SP2_SP-NON_SP3	N[6]	Ge[6]	H	4:3:1:	3:3:1:1:	3:	Ge[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:Cl-1:Cl-1:	N[6]-3:	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(H)	Ge[6](N[6]C[6]Ge)(N[6]C[6]H)(Cl)2	H(N[6]Ge[6]C[6])	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(H){1|Ge<4>,1|C<3>,1|H<1>}	Ge[6](N[6]C[6]Ge)(N[6]C[6]H)(Cl)2{1|C<3>,2|N<3>}	H(N[6]Ge[6]C[6])	119.7030	0.000	1	119.7030	0.000	1	119.7030	0.000	1	119.7030	0.000	1	119.7030	0.000	1	119.7030	0.000	1
856	254	992	0:SP2_SP3_SP3	N[6]	Ge[6]	P	3:4:4:	3:3:1:1:	3:4:4:4:	C[6,6a]-3:Ge[6]-4:P-4:	N[6]-3:N[6]-3:Cl-1:S-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6,6a]C[6,6a,6a]C[6a])(Ge[6]N[6]ClS)(PC3)	Ge[6](N[6]C[6,6a]P)2(Cl)(S)	P(N[6]C[6,6a]Ge[6])(CCHH)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(Ge[6]N[6]ClS)(PC3){1|H<1>,1|P<4>,3|C<3>}	Ge[6](N[6]C[6,6a]P)2(Cl)(S){3|C<3>}	P(N[6]C[6,6a]Ge[6])(CCHH)3	127.6130	1.134	2	127.6130	1.286	2	127.6130	1.286	2	127.6130	1.286	2	127.6130	1.286	2	127.6130	1.286	2
856	278	278	6:SP3_SP2_SP2	N[6]	Ge[6]	Ge[6]	3:3:3:	3:3:1:	3:3:1:	Ge[6]-3:Ge[6]-3:S-3:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:N[6]-3:Cl-1:	N[6](Ge[6]N[6]Cl)2(SC[6a]N)	Ge[6](N[6]Ge[6]S)(N[6]S[6]Si)(Cl)	Ge[6](N[6]Ge[6]S)(N[6]S[6]Si)(Cl)	N[6](Ge[6]N[6]Cl)2(SC[6a]N){2|Si<4>,1|S<3>}	Ge[6](N[6]Ge[6]S)(N[6]S[6]Si)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	Ge[6](N[6]Ge[6]S)(N[6]S[6]Si)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	122.0390	0.000	1	122.0390	0.000	1	122.0390	0.000	1	122.0390	0.000	1	122.0390	0.000	1	122.0390	0.000	1
856	278	466	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	3:3:4:	3:3:1:	3:4:1:1:	Ge[6]-3:C[6a]-3:C[6]-4:	C[5,6]-3:N[6]-3:Cl-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](Ge[6]C[5,6]Cl)(C[6a]C[6a]2)(C[6]C[6]HH)	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6a]C[6])(Cl)	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2	N[6](Ge[6]C[5,6]Cl)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6a]C[6])(Cl){1|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2{1|Cl<1>,4|C<3>}	119.9360	0.124	2	119.9360	0.015	2	119.9360	0.015	2	119.9360	0.015	2	119.9277	0.008	3	119.9277	0.008	3
856	278	466	6:SP2_SP2_SP3	N[6]	Ge[6]	C[6]	3:3:4:	3:3:2:	3:4:1:1:	Ge[6]-3:C[6a]-3:C[6]-4:	C[5,6]-3:N[6]-3:O-2:	N[6]-3:C[6]-4:H-1:H-1:	N[6](Ge[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6a]C[6])(OC)	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2	N[6](Ge[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6a]C[6])(OC){1|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2{1|O<2>,4|C<3>}	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	119.9277	0.008	3	119.9277	0.008	3
856	278	466	6:SP3_SP2_SP3	N[6]	Ge[6]	C[6]	4:3:3:	4:3:1:	3:3:1:1:	C[6]-4:C[6a]-3:Ge[6]-3:	P[6]-4:N[6]-3:Cl-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(Ge[6]P[6]Cl)	Ge[6](P[6]C[6,6a]C[6a]2)(N[6]C[6a]C[6])(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ge[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(Ge[6]P[6]Cl){2|C<4>,6|C<3>}	Ge[6](P[6]C[6,6a]C[6a]2)(N[6]C[6a]C[6])(Cl){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ge[6])(H)2{1|Cl<1>,1|H<1>,1|P<4>,4|C<3>}	125.6760	0.000	1	125.6760	0.000	1	125.6760	0.000	1	125.6760	0.000	1	125.6760	0.000	1	125.6760	0.000	1
856	278	643	0:SP2_SP2_SP2	N[6,6]	Ge[3x6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:C[6,6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H)	C[6a](N[6,6]Ge[3x6]C[6,6])(C[6a]C[6a]C)2	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](N[6,6]Ge[3x6]C[6,6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.5570	0.000	1	120.4365	0.362	4	120.4365	0.362	4	120.4365	0.362	4	120.4365	0.362	4	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6,6]	Ge[3x6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:C[6,6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H)	C[6a](N[6,6]Ge[3x6]C[6,6])(C[6a]C[6a]C)2	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](N[6,6]Ge[3x6]C[6,6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.8250	0.000	1	120.4365	0.362	4	120.4365	0.362	4	120.4365	0.362	4	120.4365	0.362	4	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6,6]	Ge[3x6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:C[6,6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H)	C[6a](N[6,6]Ge[3x6]C[6,6])(C[6a]C[6a]C)2	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H){2|C<4>,6|C<3>}	C[6a](N[6,6]Ge[3x6]C[6,6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.8260	0.000	1	120.4365	0.362	4	120.4365	0.362	4	120.4365	0.362	4	120.4365	0.362	4	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6,6]	Ge[3x6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:C[6,6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H)	C[6a](N[6,6]Ge[3x6]C[6,6])(C[6a]C[6a]C)2	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H){2|C<4>,6|C<3>}	C[6a](N[6,6]Ge[3x6]C[6,6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.5380	0.000	1	120.4365	0.362	4	120.4365	0.362	4	120.4365	0.362	4	120.4365	0.362	4	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:O[6]-2:Cl-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]O[6]Cl)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])(O[6]C[6])(Cl)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]O[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	Ge[6](N[6]C[6a]C[6])(O[6]C[6])(Cl){2|C<4>,3|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	114.4870	0.000	1	114.4870	0.000	1	114.4870	0.000	1	114.4870	0.000	1	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]Cl)	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(Cl)	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]Cl){2|H<1>,4|C<3>,4|C<4>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(Cl){1|C<4>,6|C<3>}	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	114.4470	0.000	1	114.4470	0.000	1	114.4470	0.000	1	114.9349	3.348	14	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]Cl)	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(Cl)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]Cl){3|C<4>,6|C<3>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(Cl){1|C<4>,6|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	111.9370	0.000	1	111.9370	0.000	1	111.9370	0.000	1	114.9349	3.348	14	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(Cl)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(Cl){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	114.9209	1.856	8	114.9209	3.446	8	114.9209	3.446	8	114.9349	3.348	14	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]H)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(H)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]H)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(H){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	114.7535	1.118	2	114.7535	1.250	2	114.7535	1.250	2	114.9349	3.348	14	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:P-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(P)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(P){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<1>,2|C<3>,2|H<1>}	116.9150	1.007	2	116.9150	1.014	2	116.9150	1.014	2	114.9349	3.348	14	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:N[6]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]O)	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(OH)	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]O){2|H<1>,4|C<3>,4|C<4>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(OH){1|C<4>,6|C<3>}	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	114.0160	0.000	1	114.0160	0.000	1	114.0160	0.000	1	116.8598	4.416	37	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:N[6]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]O)	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(OH)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]O){3|C<4>,6|C<3>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(OH){1|C<4>,6|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	112.2460	0.000	1	112.2460	0.000	1	112.2460	0.000	1	116.8598	4.416	37	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:C-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(CC)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(CC){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.8590	0.000	1	116.8590	0.000	1	116.8590	0.000	1	116.8598	4.416	37	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:N-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NN)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NN){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	116.5834	0.347	5	116.5834	0.120	5	116.5834	0.120	5	116.8598	4.416	37	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(OB)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(OB){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	115.0275	0.732	2	115.0275	0.536	2	116.8134	4.750	23	116.8598	4.416	37	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(OB[6a])	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(OB[6a]){3|C<4>,4|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	113.9862	1.600	4	113.9862	2.561	4	116.8134	4.750	23	116.8598	4.416	37	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(OC)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(OC){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	117.0344	1.528	10	117.0344	2.334	10	116.8134	4.750	23	116.8598	4.416	37	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(OC[6a])	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(OC[6a]){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	116.3890	0.000	1	116.3890	0.000	1	116.8134	4.750	23	116.8598	4.416	37	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(OP)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(OP){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.9960	1.239	6	118.9960	1.534	6	116.8134	4.750	23	116.8598	4.416	37	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:Se-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]Se)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(SeP)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]Se)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(SeP){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Se<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.5108	1.252	6	118.5108	1.568	6	118.5108	1.568	6	116.8598	4.416	37	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]N)	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(NHH)	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]N){2|H<1>,4|C<3>,4|C<4>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(NHH){1|C<4>,6|C<3>}	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	114.4950	0.000	1	114.4950	0.000	1	114.4950	0.000	1	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]N)	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(NHH)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]N){3|C<4>,6|C<3>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(NHH){1|C<4>,6|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	112.8460	0.000	1	112.8460	0.000	1	112.8460	0.000	1	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:C-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(CCC)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(CCC){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.0601	2.551	8	116.0601	6.506	8	114.7563	9.258	12	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:C-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(CCP)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(CCP){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	114.0455	0.176	2	114.0455	0.031	2	114.7563	9.258	12	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:C-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(CSiN)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(CSiN){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.2520	1.038	2	110.2520	1.078	2	114.7563	9.258	12	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NCC)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NCC){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	113.2975	1.764	2	113.2975	3.113	2	113.5981	5.739	10	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NC[6a]2)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NC[6a]2){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	111.9385	0.138	2	111.9385	0.019	2	113.5981	5.739	10	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NC[6a]H)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NC[6a]H){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	116.7610	1.187	2	116.7610	1.408	2	113.5981	5.739	10	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NHH)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NHH){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	115.1755	0.185	2	115.1755	0.034	2	113.5981	5.739	10	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NSiN)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NSiN){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	110.8180	0.974	2	110.8180	0.949	2	113.5981	5.739	10	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(PC[6]2)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(PC[6]2){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	121.2350	0.622	2	121.2350	0.387	2	118.5336	6.212	10	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(PC[6a]2)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(PC[6a]2){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	119.8010	3.670	2	119.8010	13.468	2	118.5336	6.212	10	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(PHP)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(PHP){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	116.3645	2.675	2	116.3645	7.156	2	118.5336	6.212	10	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(PSi2)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(PSi2){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	117.0005	1.671	2	117.0005	2.792	2	118.5336	6.212	10	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(PSiH)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(PSiH){2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	118.2670	0.202	2	118.2670	0.041	2	118.5336	6.212	10	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[6]-3:C[6a]-3:C[6]-3:	Ge[5]-3:N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]Ge[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](Ge[5]C[5]N[5])(N[6]C[6a]C[6])2	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]Ge[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	Ge[6](Ge[5]C[5]N[5])(N[6]C[6a]C[6])2{3|C<4>,8|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Ge<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.8435	3.248	2	124.8435	10.548	2	124.8435	10.548	2	115.9839	15.114	36	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:3:	3:3:4:	3:3:3:	Ge[6]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[5]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(C[5]C[5]2H)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,2|H<1>,6|C<3>}	Ge[6](N[6]C[6a]C[6])2(C[5]C[5]2H){2|C<4>,2|H<1>,7|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	116.6055	0.530	2	116.6055	0.281	2	116.6055	0.281	2	116.6055	0.281	2	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:4:	3:3:1:	3:3:3:	Ge[6]-3:C[6a]-3:C[6]-4:	C[5,6]-3:N[6]-3:Cl-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]C[5,6]Cl)(C[6a]C[6a]2)(C[6]C[6]HH)	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6a]C[6])(Cl)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]C[5,6]Cl)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6a]C[6])(Cl){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	119.1935	1.258	2	119.1935	1.582	2	119.1935	1.582	2	119.1935	1.582	2	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP2_SP2_SP2	N[6]	Ge[6]	C[6a]	3:3:4:	3:3:2:	3:3:3:	Ge[6]-3:C[6a]-3:C[6]-4:	C[5,6]-3:N[6]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6a]C[6])(OC)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6a]C[6])(OC){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.2230	0.000	1	122.2230	0.000	1	122.2230	0.000	1	122.2230	0.000	1	116.3078	9.021	93	116.4781	9.337	97
856	278	643	0:SP3_SP2_SP2	N[6]	Ge[6]	C[6a]	4:3:3:	4:3:1:	3:3:3:	C[6]-4:C[6a]-3:Ge[6]-3:	P[6]-4:N[6]-3:Cl-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(Ge[6]P[6]Cl)	Ge[6](P[6]C[6,6a]C[6a]2)(N[6]C[6a]C[6])(Cl)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(Ge[6]P[6]Cl){2|C<4>,6|C<3>}	Ge[6](P[6]C[6,6a]C[6a]2)(N[6]C[6a]C[6])(Cl){2|H<1>,8|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|P<4>,2|C<3>,4|H<1>}	112.0500	0.000	1	112.0500	0.000	1	112.0500	0.000	1	112.0500	0.000	1	112.0500	0.000	1	112.0500	0.000	1
856	278	762	0:SP2_SP2_SP2	N[3x6]	Ge[3x6]	C[6]	3:3:3:	4:3:3:	3:3:3:	Ge[3x6]-3:C[3x6]-3:C[6]-3:	C[4,6,6]-4:N[3x6]-3:N[6,6]-3:	N[3x6]-3:C[6]-3:C-3:	N[3x6](Ge[3x6]C[4,6,6]N[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]C)	Ge[3x6](C[4,6,6]Ge[4,6,6]C[6a]P[4])(N[3x6]C[3x6]C[6])(N[6,6]P[6,6]Si)	C[6](N[3x6]Ge[3x6]C[3x6])(C[6]C[6]H)(CHP)	N[3x6](Ge[3x6]C[4,6,6]N[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]C){1|Ge<3>,1|Si<4>,2|C<3>,2|P<4>,3|H<1>}	Ge[3x6](C[4,6,6]Ge[4,6,6]C[6a]P[4])(N[3x6]C[3x6]C[6])(N[6,6]P[6,6]Si){1|N<2>,1|N<3>,4|C<3>,5|C<4>}	C[6](N[3x6]Ge[3x6]C[3x6])(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	116.6520	0.000	1	116.6520	0.000	1	116.6520	0.000	1	116.6520	0.000	1	116.6520	0.000	1	114.2025	2.707	4
856	278	762	0:SP2_SP2_SP2	N[6,6]	Ge[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:Ge[6]-3:C[6]-3:	N[6,6a]-3:N[6,6]-3:Cl-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]Cl)(C[6]C[6]H)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(Cl)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]Cl)(C[6]C[6]H){2|H<1>,3|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(Cl){1|N<2>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	113.5095	0.172	2	113.5095	0.030	2	113.5095	0.030	2	113.5095	0.030	2	113.3860	0.061	3	114.2025	2.707	4
856	278	762	0:SP2_SP2_SP2	N[6,6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:Ge[6]-3:C[6]-3:	N[6,6a]-3:N[6,6]-3:N-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]N)(C[6]C[6]H)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(NC[6a]2)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]N)(C[6]C[6]H){2|H<1>,3|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(NC[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	113.1390	0.000	1	113.1390	0.000	1	113.1390	0.000	1	113.1390	0.000	1	113.3860	0.061	3	114.2025	2.707	4
856	278	762	6:SP2_SP2_SP2	N[3x6]	Ge[3x6]	C[3x6]	3:3:3:	4:3:3:	4:3:3:	Ge[3x6]-3:C[3x6]-3:C[6]-3:	C[4,6,6]-4:N[3x6]-3:N[6,6]-3:	C[3x6]-4:N[3x6]-3:C[6]-3:	N[3x6](Ge[3x6]C[4,6,6]N[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]C)	Ge[3x6](C[4,6,6]Ge[4,6,6]C[6a]P[4])(N[3x6]C[3x6]C[6])(N[6,6]P[6,6]Si)	C[3x6](C[3x6]Ge[4,6,6]P[6,6]H)(N[3x6]Ge[3x6]C[6])(C[6]C[6]H)	N[3x6](Ge[3x6]C[4,6,6]N[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]C){1|Ge<3>,1|Si<4>,2|C<3>,2|P<4>,3|H<1>}	Ge[3x6](C[4,6,6]Ge[4,6,6]C[6a]P[4])(N[3x6]C[3x6]C[6])(N[6,6]P[6,6]Si){1|N<2>,1|N<3>,4|C<3>,5|C<4>}	C[3x6](C[3x6]Ge[4,6,6]P[6,6]H)(N[3x6]Ge[3x6]C[6])(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	122.4480	0.000	1	122.4480	0.000	1	122.4480	0.000	1	122.4480	0.000	1	122.4480	0.000	1	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6,6]	Ge[3x6]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:C[6,6]-3:	N[6,6]-3:C[3x6]-4:C-3:	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H){1|H<1>,2|C<4>,5|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.2580	0.000	1	120.4680	0.088	2	120.4680	0.088	2	120.4680	0.088	2	119.0498	2.847	4	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6,6]	Ge[3x6]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:C[6,6]-3:	N[6,6]-3:C[3x6]-4:C-3:	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H){2|C<4>,6|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|N<3>,4|C<3>}	120.6780	0.000	1	120.4680	0.088	2	120.4680	0.088	2	120.4680	0.088	2	119.0498	2.847	4	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6,6]	Ge[3x6]	C[6,6]	3:3:3:	3:3:3:	3:4:4:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:C[6,6]-3:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3)	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H){1|H<1>,2|C<4>,5|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3){1|H<1>,1|N<3>,4|C<3>}	118.0830	0.000	1	117.6315	0.408	2	117.6315	0.408	2	117.6315	0.408	2	119.0498	2.847	4	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6,6]	Ge[3x6]	C[6,6]	3:3:3:	3:3:3:	3:4:4:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:C[6,6]-3:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3)	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H){2|C<4>,6|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3){1|N<3>,5|C<3>}	117.1800	0.000	1	117.6315	0.408	2	117.6315	0.408	2	117.6315	0.408	2	119.0498	2.847	4	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6,6]	Ge[6]	C[6,6]	3:3:3:	3:3:1:	3:2:3:	C[6,6]-3:Ge[6]-3:C[6]-3:	N[6,6a]-3:N[6,6]-3:Cl-1:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]Cl)(C[6]C[6]H)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(Cl)	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]Cl)(C[6]C[6]H){2|H<1>,3|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(Cl){1|N<2>,2|H<1>,4|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	126.1655	0.429	2	126.1655	0.184	2	126.1655	0.184	2	126.1655	0.184	2	126.5323	0.496	3	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6,6]	Ge[6]	C[6,6]	3:3:3:	3:3:3:	3:2:3:	C[6,6]-3:Ge[6]-3:C[6]-3:	N[6,6a]-3:N[6,6]-3:N-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]N)(C[6]C[6]H)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(NC[6a]2)	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]N)(C[6]C[6]H){2|H<1>,3|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(NC[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	127.2660	0.000	1	127.2660	0.000	1	127.2660	0.000	1	127.2660	0.000	1	126.5323	0.496	3	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6,6]	C[6]	3:3:4:	3:3:3:	3:3:3:	Ge[6,6]-3:C[6]-3:Si-4:	N[6,6,6a]-3:N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C[6a]-3:	N[6](Ge[6,6]N[6,6,6a]N[6])(C[6]C[6a]C[6])(SiC3)	Ge[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]Si)2	C[6](N[6]Ge[6,6]Si)(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[6](Ge[6,6]N[6,6,6a]N[6])(C[6]C[6a]C[6])(SiC3){1|Si<4>,1|H<1>,5|C<3>}	Ge[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]Si)2{6|C<3>}	C[6](N[6]Ge[6,6]Si)(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<3>,3|C<3>}	112.4435	13.069	2	112.4435	170.811	2	112.4435	170.811	2	112.4435	170.811	2	112.4435	170.811	2	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]Cl)	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(Cl)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]Cl){2|H<1>,4|C<3>,4|C<4>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(Cl){1|C<4>,6|C<3>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	125.1490	0.000	1	125.1490	0.000	1	125.1490	0.000	1	125.1490	0.000	1	124.9757	0.091	3	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6,6]	3:3:3:	3:3:2:	3:3:4:	C[6,6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:N[6]-3:O-2:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]O)	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(OH)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]O){2|H<1>,4|C<3>,4|C<4>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(OH){1|C<4>,6|C<3>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	125.1500	0.000	1	125.1500	0.000	1	125.1500	0.000	1	125.1500	0.000	1	124.9757	0.091	3	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]N)	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(NHH)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]N){2|H<1>,4|C<3>,4|C<4>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(NHH){1|C<4>,6|C<3>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	124.6280	0.000	1	124.6280	0.000	1	124.6280	0.000	1	124.6280	0.000	1	124.9757	0.091	3	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:2:1:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:O[6]-2:Cl-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]O[6]Cl)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])(O[6]C[6])(Cl)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]O[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	Ge[6](N[6]C[6a]C[6])(O[6]C[6])(Cl){2|C<4>,3|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	123.1980	0.000	1	123.1980	0.000	1	123.1980	0.000	1	123.1980	0.000	1	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:N[6]-3:Cl-1:	C[6,6]-3:N[6]-3:C[6a]-3:	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]Cl)	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(Cl)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]Cl){3|C<4>,6|C<3>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(Cl){1|C<4>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	125.6750	0.000	1	125.6750	0.000	1	125.6750	0.000	1	125.6750	0.000	1	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(Cl)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CGe[4]HH)	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(Cl){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CGe[4]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	124.9590	0.000	1	124.9590	0.000	1	123.9813	0.992	8	123.6833	0.837	12	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(Cl)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(Cl){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	123.4850	1.012	4	123.4850	1.024	4	123.9813	0.992	8	123.6833	0.837	12	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(Cl)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHHP)	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(Cl){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHHP){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	123.8130	0.256	2	123.8130	0.066	2	123.9813	0.992	8	123.6833	0.837	12	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(Cl)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CSi[4]HH)	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(Cl){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CSi[4]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	125.3250	0.000	1	125.3250	0.000	1	123.9813	0.992	8	123.6833	0.837	12	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]H)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]H)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(H){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.0910	0.209	2	123.0910	0.044	2	123.0910	0.044	2	123.6833	0.837	12	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:P-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(P)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(P){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<1>,2|C<3>}	123.0835	0.306	2	123.0835	0.094	2	123.0835	0.094	2	123.6833	0.837	12	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:N[6]-3:O-2:	C[6,6]-3:N[6]-3:C[6a]-3:	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]O)	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(OH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]O){3|C<4>,6|C<3>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(OH){1|C<4>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	125.9690	0.000	1	125.9690	0.000	1	125.9690	0.000	1	125.9690	0.000	1	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:C-2:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(CC)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(CC){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	122.1400	0.000	1	122.1400	0.000	1	122.1400	0.000	1	121.4155	4.708	32	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:N-2:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NN)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NN){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	123.1338	0.496	6	123.1338	0.246	6	123.1338	0.246	6	121.4155	4.708	32	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(OB)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(OB){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	124.7530	0.566	2	124.7530	0.320	2	121.7372	3.861	19	121.4155	4.708	32	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(OC)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(OC){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	121.9521	1.931	10	121.9521	3.728	10	121.7372	3.861	19	121.4155	4.708	32	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(OC[6a])	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(OC[6a]){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	120.8340	0.000	1	120.8340	0.000	1	121.7372	3.861	19	121.4155	4.708	32	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(OP)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(OP){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	120.5243	1.210	6	120.5243	1.465	6	121.7372	3.861	19	121.4155	4.708	32	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:Se-2:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]Se)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(SeP)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]Se)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(SeP){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Se<2>,1|C<4>,1|N<3>,2|C<3>}	118.5578	1.098	6	118.5578	1.206	6	118.5578	1.206	6	121.4155	4.708	32	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:	N[6]-3:C[6]-4:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(OB[6a])	C[6](N[6]C[6a]Ge[6])(C[6]C[6]HH)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(OB[6a]){3|C<4>,4|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	125.1220	1.108	4	125.1220	1.227	4	125.1220	1.227	4	125.1220	1.227	4	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:N[6]-3:N-3:	C[6,6]-3:N[6]-3:C[6a]-3:	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]N)	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(NHH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]N){3|C<4>,6|C<3>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(NHH){1|C<4>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){2|C<4>,2|N<3>,4|C<3>,4|H<1>}	125.2740	0.000	1	125.2740	0.000	1	125.2740	0.000	1	125.2740	0.000	1	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(CCC)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(CCC){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	123.8416	1.449	8	123.8416	2.099	8	124.8558	3.725	12	123.0294	14.554	34	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(CCP)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(CCP){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	126.3650	0.598	2	126.3650	0.358	2	124.8558	3.725	12	123.0294	14.554	34	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(CSiN)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(CSiN){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	127.4030	0.407	2	127.4030	0.166	2	124.8558	3.725	12	123.0294	14.554	34	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NCC)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NCC){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|N<3>}	126.6890	0.093	2	126.6890	0.009	2	125.7594	2.050	10	123.0294	14.554	34	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NC[6a]2)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NC[6a]2){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|N<3>}	126.0305	0.383	2	126.0305	0.146	2	125.7594	2.050	10	123.0294	14.554	34	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NC[6a]H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NC[6a]H){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|N<3>}	123.4475	0.756	2	123.4475	0.571	2	125.7594	2.050	10	123.0294	14.554	34	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NHH)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NHH){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|N<3>}	125.3900	0.099	2	125.3900	0.010	2	125.7594	2.050	10	123.0294	14.554	34	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(NSiN)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(NSiN){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|N<3>}	127.2400	0.699	2	127.2400	0.488	2	125.7594	2.050	10	123.0294	14.554	34	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(PC[6]2)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(PC[6]2){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,2|C<3>}	118.5270	0.861	2	118.5270	0.742	2	119.9041	5.129	10	123.0294	14.554	34	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(PC[6a]2)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(PC[6a]2){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,2|C<3>}	119.2050	0.464	2	119.2050	0.215	2	119.9041	5.129	10	123.0294	14.554	34	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(PHP)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(PHP){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,2|C<3>}	119.0725	0.401	2	119.0725	0.161	2	119.9041	5.129	10	123.0294	14.554	34	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(PSi2)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(PSi2){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,2|C<3>}	124.1145	0.141	2	124.1145	0.020	2	119.9041	5.129	10	123.0294	14.554	34	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(PSiH)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(PSiH){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,2|C<3>}	118.6015	0.155	2	118.6015	0.024	2	119.9041	5.129	10	123.0294	14.554	34	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	Ge[6]-3:C[6a]-3:C[6]-3:	Ge[5]-3:N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](Ge[6]Ge[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](Ge[5]C[5]N[5])(N[6]C[6a]C[6])2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](Ge[6]Ge[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	Ge[6](Ge[5]C[5]N[5])(N[6]C[6a]C[6])2{3|C<4>,8|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,2|C<3>}	114.0480	1.065	2	114.0480	1.134	2	114.0480	1.134	2	123.0294	14.554	34	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	Ge[6]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[5]-4:	N[6]-3:C[6]-3:C-4:	N[6](Ge[6]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Ge[6](N[6]C[6a]C[6])2(C[5]C[5]2H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](Ge[6]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,2|H<1>,6|C<3>}	Ge[6](N[6]C[6a]C[6])2(C[5]C[5]2H){2|C<4>,2|H<1>,7|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	120.3470	0.375	2	120.3470	0.140	2	120.3470	0.140	2	120.3470	0.140	2	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:4:	3:3:2:	3:3:3:	C[6]-3:Ge[6]-3:Si-4:	N[6,6a]-3:N[6]-3:C-2:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3){1|Si<4>,4|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	117.1410	0.000	1	117.1410	0.000	1	117.1410	0.000	1	117.1943	1.195	3	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:4:	3:3:2:	3:3:3:	Ge[6]-3:C[6]-3:Si-4:	N[6,6a]-3:N[6]-3:Se-2:	C[6]-3:C[6a]-3:N[6]-3:	N[6](Ge[6]N[6,6a]Se)(C[6]C[6a]C[6])(SiC3)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(SeGe[6])	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	N[6](Ge[6]N[6,6a]Se)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(SeGe[6]){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Se<2>,1|N<3>,2|H<1>,3|C<3>}	117.2210	1.544	2	117.2210	2.385	2	117.2210	2.385	2	117.1943	1.195	3	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:Ge[6]-3:Si-4:	N[6,6a]-3:N[6]-3:N-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]N)(SiC3)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(NC[6a]N)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]N)(SiC3){1|Si<4>,4|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(NC[6a]N){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){2|H<1>,2|N<3>,3|C<3>}	121.1390	3.029	2	121.1390	9.176	2	121.1390	9.176	2	118.9160	9.841	4	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	Ge[6]-3:C[6]-3:Si-4:	N[6,6a]-3:Ge[6]-3:N[6]-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3)	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6a]N[6])(N[6]C[6]Si)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3){1|Si<4>,2|N<3>,4|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6a]N[6])(N[6]C[6]Si){1|Si<4>,1|H<1>,7|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Ge<3>,1|N<3>,2|H<1>,3|C<3>}	116.6930	0.761	2	116.6930	0.579	2	116.6930	0.579	2	118.9160	9.841	4	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:4:	3:3:4:	3:3:3:	C[6]-3:Ge[6]-3:Si-4:	N[6,6a]-3:N[6]-3:C-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3){1|Si<4>,4|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC3){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP2_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:4:	3:4:3:	3:3:3:	Ge[6]-3:C[6]-3:Si-4:	N[6,6a]-3:C[5]-4:N[6]-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6](Ge[6]N[6,6a]C[5])(C[6]C[6a]C[6])(SiC3)	Ge[6](N[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]C[6]Si)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	N[6](Ge[6]N[6,6a]C[5])(C[6]C[6a]C[6])(SiC3){1|Si<4>,1|H<1>,6|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]C[6]Si){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	122.2601	9.972	97	122.1572	13.281	110
856	278	762	6:SP3_SP2_SP2	N[6]	Ge[6]	C[6]	3:3:4:	3:4:3:	3:3:3:	Ge[6]-3:C[6]-3:Si-4:	N[6,6a]-3:Ge[6]-4:N[6]-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3)	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6]N[6]Fe)(N[6]C[6]Si)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3){1|Fe<5>,1|Si<4>,2|N<3>,4|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6]N[6]Fe)(N[6]C[6]Si){1|Si<4>,1|H<1>,7|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Ge<4>,1|N<3>,2|H<1>,3|C<3>}	119.2910	0.000	1	119.2910	0.000	1	119.2910	0.000	1	119.2910	0.000	1	119.2910	0.000	1	119.2910	0.000	1
856	278	849	6:SP3_SP2_SP3	N[6,6]	Ge[3x6]	P[6,6]	3:4:4:	4:3:3:	4:3:4:4:	Ge[3x6]-3:P[6,6]-4:Si-4:	C[4,6,6]-4:N[3x6]-3:N[6,6]-3:	C[3x6]-4:N[6,6]-3:C-4:C-4:	N[6,6](Ge[3x6]C[4,6,6]N[3x6])(P[6,6]C[3x6]CC)(SiC3)	Ge[3x6](C[4,6,6]Ge[4,6,6]C[6a]P[4])(N[3x6]C[3x6]C[6])(N[6,6]P[6,6]Si)	P[6,6](C[3x6]Ge[4,6,6]C[3x6]H)(N[6,6]Ge[3x6]Si)(CCCH)2	N[6,6](Ge[3x6]C[4,6,6]N[3x6])(P[6,6]C[3x6]CC)(SiC3){1|Ge<3>,1|H<1>,1|P<4>,3|C<3>}	Ge[3x6](C[4,6,6]Ge[4,6,6]C[6a]P[4])(N[3x6]C[3x6]C[6])(N[6,6]P[6,6]Si){1|N<2>,1|N<3>,4|C<3>,5|C<4>}	P[6,6](C[3x6]Ge[4,6,6]C[3x6]H)(N[6,6]Ge[3x6]Si)(CCCH)2{1|C<3>,1|C<4>,2|N<3>}	117.6990	0.000	1	117.6990	0.000	1	117.6990	0.000	1	117.6990	0.000	1	117.6990	0.000	1	117.6990	0.000	1
856	278	880	0:SP2_SP2_SP3	N[6]	Ge[6,6]	Si	3:3:4:	3:3:3:	3:4:4:4:	Ge[6,6]-3:C[6]-3:Si-4:	N[6,6,6a]-3:N[6]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6,6]N[6,6,6a]N[6])(C[6]C[6a]C[6])(SiC3)	Ge[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]Si)2	Si(N[6]Ge[6,6]C[6])(CH3)3	N[6](Ge[6,6]N[6,6,6a]N[6])(C[6]C[6a]C[6])(SiC3){1|Si<4>,1|H<1>,5|C<3>}	Ge[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]Si)2{6|C<3>}	Si(N[6]Ge[6,6]C[6])(CH3)3	120.0930	13.786	2	120.0930	190.047	2	120.0930	190.047	2	120.0930	190.047	2	120.0930	190.047	2	117.0129	26.003	13
856	278	880	0:SP2_SP2_SP3	N[6]	Ge[6]	Si	3:3:4:	3:3:1:	3:4:4:4:	S[6]-3:Ge[6]-3:Si-4:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:C-4:C-4:C-4:	N[6](S[6]C[6a]N[6])(Ge[6]N[6]Cl)(SiC3)	Ge[6](N[6]Ge[6]S)(N[6]S[6]Si)(Cl)	Si(N[6]Ge[6]S[6])(CH3)3	N[6](S[6]C[6a]N[6])(Ge[6]N[6]Cl)(SiC3){1|Ge<3>,1|Si<4>,1|S<3>,2|C<3>}	Ge[6](N[6]Ge[6]S)(N[6]S[6]Si)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	Si(N[6]Ge[6]S[6])(CH3)3	120.6730	3.421	2	120.6730	11.703	2	120.6730	11.703	2	120.6730	11.703	2	116.4529	9.957	11	117.0129	26.003	13
856	278	880	0:SP2_SP2_SP3	N[6]	Ge[6]	Si	3:3:4:	3:3:2:	3:4:4:4:	C[6]-3:Ge[6]-3:Si-4:	N[6,6a]-3:N[6]-3:C-2:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3){1|Si<4>,4|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC){1|H<1>,4|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	113.8220	0.000	1	113.8220	0.000	1	113.8220	0.000	1	115.6357	19.994	3	116.4529	9.957	11	117.0129	26.003	13
856	278	880	0:SP2_SP2_SP3	N[6]	Ge[6]	Si	3:3:4:	3:3:2:	3:4:4:4:	Ge[6]-3:C[6]-3:Si-4:	N[6,6a]-3:N[6]-3:Se-2:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6a]Se)(C[6]C[6a]C[6])(SiC3)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(SeGe[6])	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6a]Se)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(SeGe[6]){1|H<1>,4|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	116.5425	5.921	2	116.5425	35.054	2	116.5425	35.054	2	115.6357	19.994	3	116.4529	9.957	11	117.0129	26.003	13
856	278	880	0:SP2_SP2_SP3	N[6]	Ge[6]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6]-3:Ge[6]-3:Si-4:	N[6,6a]-3:N[6]-3:N-3:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]N)(SiC3)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(NC[6a]N)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]N)(SiC3){1|Si<4>,4|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(NC[6a]N){1|H<1>,4|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	115.1125	0.885	2	115.1125	0.783	2	115.1125	0.783	2	115.4907	0.577	4	116.4529	9.957	11	117.0129	26.003	13
856	278	880	0:SP2_SP2_SP3	N[6]	Ge[6]	Si	3:3:4:	3:3:3:	3:4:4:4:	Ge[6]-3:C[6]-3:Si-4:	N[6,6a]-3:Ge[6]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3)	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6a]N[6])(N[6]C[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3){1|Si<4>,2|N<3>,4|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6a]N[6])(N[6]C[6]Si){1|Si<4>,1|H<1>,7|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	115.8690	0.614	2	115.8690	0.377	2	115.8690	0.377	2	115.4907	0.577	4	116.4529	9.957	11	117.0129	26.003	13
856	278	880	0:SP2_SP2_SP3	N[6]	Ge[6]	Si	3:3:4:	3:3:4:	3:4:4:4:	C[6]-3:Ge[6]-3:Si-4:	N[6,6a]-3:N[6]-3:C-4:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC3)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3){1|Si<4>,4|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC3){1|H<1>,4|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	116.5080	0.000	1	116.5080	0.000	1	116.5080	0.000	1	116.5080	0.000	1	116.4529	9.957	11	117.0129	26.003	13
856	278	880	0:SP2_SP2_SP3	N[6]	Ge[6]	Si	3:3:4:	3:4:3:	3:4:4:4:	Ge[6]-3:C[6]-3:Si-4:	N[6,6a]-3:C[5]-4:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6a]C[5])(C[6]C[6a]C[6])(SiC3)	Ge[6](N[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]C[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6a]C[5])(C[6]C[6a]C[6])(SiC3){1|Si<4>,1|H<1>,6|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]C[6]Si){3|H<1>,6|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	114.2580	0.000	1	114.2580	0.000	1	114.2580	0.000	1	114.2580	0.000	1	116.4529	9.957	11	117.0129	26.003	13
856	278	880	0:SP3_SP2_SP3	N[6,6]	Ge[3x6]	Si	3:4:4:	4:3:3:	3:4:4:4:	Ge[3x6]-3:P[6,6]-4:Si-4:	C[4,6,6]-4:N[3x6]-3:N[6,6]-3:	N[6,6]-3:C-4:C-4:C-4:	N[6,6](Ge[3x6]C[4,6,6]N[3x6])(P[6,6]C[3x6]CC)(SiC3)	Ge[3x6](C[4,6,6]Ge[4,6,6]C[6a]P[4])(N[3x6]C[3x6]C[6])(N[6,6]P[6,6]Si)	Si(N[6,6]Ge[3x6]P[6,6])(CH3)3	N[6,6](Ge[3x6]C[4,6,6]N[3x6])(P[6,6]C[3x6]CC)(SiC3){1|Ge<3>,1|H<1>,1|P<4>,3|C<3>}	Ge[3x6](C[4,6,6]Ge[4,6,6]C[6a]P[4])(N[3x6]C[3x6]C[6])(N[6,6]P[6,6]Si){1|N<2>,1|N<3>,4|C<3>,5|C<4>}	Si(N[6,6]Ge[3x6]P[6,6])(CH3)3	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	113.8670	28.880	2
856	278	880	0:SP3_SP2_SP3	N[6]	Ge[6]	Si	3:3:4:	3:4:3:	3:4:4:4:	Ge[6]-3:C[6]-3:Si-4:	N[6,6a]-3:Ge[6]-4:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3)	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6]N[6]Fe)(N[6]C[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3){1|Fe<5>,1|Si<4>,2|N<3>,4|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6]N[6]Fe)(N[6]C[6]Si){1|Si<4>,1|H<1>,7|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	113.8670	28.880	2
856	278	887	0:SP3_SP2_SP3	N[6]	Ge[6]	S	3:3:3:	3:3:1:	3:3:2:	Ge[6]-3:Ge[6]-3:S-3:	N[6]-3:N[6]-3:Cl-1:	C[6a]-3:N[6]-3:N-2:	N[6](Ge[6]N[6]Cl)2(SC[6a]N)	Ge[6](N[6]Ge[6]S)(N[6]S[6]Si)(Cl)	S(C[6a]C[6a]2)(N[6]Ge[6]2)(NSi)	N[6](Ge[6]N[6]Cl)2(SC[6a]N){2|Si<4>,1|S<3>}	Ge[6](N[6]Ge[6]S)(N[6]S[6]Si)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	S(C[6a]C[6a]2)(N[6]Ge[6]2)(NSi)	116.2315	6.987	2	116.2315	48.817	2	116.2315	48.817	2	116.2315	48.817	2	116.2315	48.817	2	116.2315	48.817	2
856	278	922	6:SP2_SP2_SP3	N[6]	Ge[6]	S[6]	3:3:4:	3:3:1:	3:3:3:	S[6]-3:Ge[6]-3:Si-4:	N[6]-3:N[6]-3:Cl-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](S[6]C[6a]N[6])(Ge[6]N[6]Cl)(SiC3)	Ge[6](N[6]Ge[6]S)(N[6]S[6]Si)(Cl)	S[6](C[6a]C[6a]2)(N[6]Ge[6]Si)2	N[6](S[6]C[6a]N[6])(Ge[6]N[6]Cl)(SiC3){1|Ge<3>,1|Si<4>,1|S<3>,2|C<3>}	Ge[6](N[6]Ge[6]S)(N[6]S[6]Si)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	S[6](C[6a]C[6a]2)(N[6]Ge[6]Si)2{2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	122.3365	0.252	2	122.3365	0.064	2	122.3365	0.064	2	122.3365	0.064	2	122.3365	0.064	2	122.3365	0.064	2
856	282	282	6:SP2_SP3_SP3	N[6]	As[6]	As[6]	3:3:3:	3:3:1:	3:3:1:	As[6]-3:As[6]-3:C[6a]-3:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:N[6]-3:Cl-1:	N[6](As[6]N[6]Cl)2(C[6a]C[6a]2)	As[6](N[6]As[6]C[6a])2(Cl)	As[6](N[6]As[6]C[6a])2(Cl)	N[6](As[6]N[6]Cl)2(C[6a]C[6a]2){1|As<2>,2|C<4>,4|C<3>}	As[6](N[6]As[6]C[6a])2(Cl){1|Cl<1>,1|N<3>,4|C<3>}	As[6](N[6]As[6]C[6a])2(Cl){1|Cl<1>,1|N<3>,4|C<3>}	131.7680	0.000	1	131.7970	2.580	7	131.7970	2.580	7	131.7970	2.580	7	131.7970	2.580	7	131.7970	2.580	7
856	282	282	6:SP2_SP3_SP3	N[6]	As[6]	As[6]	3:3:3:	3:3:1:	3:3:1:	As[6]-3:As[6]-3:C[6a]-3:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:N[6]-3:Cl-1:	N[6](As[6]N[6]Cl)2(C[6a]C[6a]2)	As[6](N[6]As[6]C[6a])2(Cl)	As[6](N[6]As[6]C[6a])2(Cl)	N[6](As[6]N[6]Cl)2(C[6a]C[6a]2){1|As<3>,2|C<4>,4|C<3>}	As[6](N[6]As[6]C[6a])2(Cl){2|Cl<1>,1|N<3>,4|C<3>}	As[6](N[6]As[6]C[6a])2(Cl){2|Cl<1>,1|N<3>,4|C<3>}	131.8018	1.760	6	131.7970	2.580	7	131.7970	2.580	7	131.7970	2.580	7	131.7970	2.580	7	131.7970	2.580	7
856	282	490	0:SP2_SP2_SP3	N[6,6]	As[6,6]	C	3:3:4:	3:3:3:	3:4:4:4:	As[6,6]-3:P[4,6,6]-3:C-4:	N[6,6]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C-4:C-4:C-4:	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3)	As[6,6](N[6,6]P[4,6,6]C)2(C[6a]C[6a]2)	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3){1|P<3>,2|C<3>,3|C<4>}	As[6,6](N[6,6]P[4,6,6]C)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<3>}	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	117.7040	0.000	1	117.7040	0.000	1	117.7040	0.000	1	117.7040	0.000	1	117.7040	0.000	1	117.7040	0.000	1
856	282	490	0:SP2_SP3_SP3	N[6]	As[6]	C	3:3:4:	3:3:1:	3:4:4:1:	C[6,6a]-3:As[6]-3:C-4:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(As[6]N[6]Cl)(CCCH)	As[6](N[6]C[6,6a]C)2(Cl)	C(N[6]C[6,6a]As[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(As[6]N[6]Cl)(CCCH){1|C<4>,1|H<1>,3|C<3>}	As[6](N[6]C[6,6a]C)2(Cl){3|C<3>}	C(N[6]C[6,6a]As[6])(CH3)2(H)	114.9735	0.153	2	114.9735	0.024	2	114.9735	0.024	2	114.9735	0.024	2	114.9735	0.024	2	114.9735	0.024	2
856	282	490	0:SP3_SP2_SP3	N[6,6]	As[6,6]	C	3:3:4:	3:3:3:	3:4:4:4:	As[6,6]-3:P[4,6,6]-3:C-4:	N[6,6]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C-4:C-4:C-4:	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3)	As[6,6](N[6,6]P[4,6,6]C)2(C[6a]C[6a]2)	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3){1|P<3>,2|C<3>,3|C<4>}	As[6,6](N[6,6]P[4,6,6]C)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<3>}	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	118.3200	0.000	1	118.3200	0.000	1	118.3200	0.000	1	118.3200	0.000	1	118.3200	0.000	1	118.3200	0.000	1
856	282	643	0:SP2_SP2_SP2	N[6]	As[6]	C[6a]	3:3:3:	3:3:2:	3:3:3:	As[6]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:As-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](As[6]N[6]As)(C[6a]C[6a]2)(C[6]C[6]H)	As[6](N[6]C[6a]C[6])2(AsAs)	C[6a](N[6]As[6]C[6])(C[6a]C[6a]C)2	N[6](As[6]N[6]As)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	As[6](N[6]C[6a]C[6])2(AsAs){2|H<1>,5|C<3>}	C[6a](N[6]As[6]C[6])(C[6a]C[6a]C)2{1|As<2>,1|N<3>,2|C<3>,3|H<1>}	118.5165	1.466	2	118.5165	2.149	2	118.5165	2.149	2	118.5165	2.149	2	118.5165	2.149	2	118.5165	2.149	2
856	282	643	0:SP2_SP2_SP3	N[6]	As[6]	C[6a]	3:3:2:	3:3:1:	3:3:3:	As[6]-3:C[6a]-3:As[6]-2:	N[6]-3:N[6]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](As[6]N[6]Cl)(C[6a]C[6a]2)(As[6]N[6])	As[6](N[6]As[6]C[6a])2(Cl)	C[6a](C[6a]C[6a]C)2(N[6]As[6]2)	N[6](As[6]N[6]Cl)(C[6a]C[6a]2)(As[6]N[6]){1|As<3>,2|C<4>,4|C<3>}	As[6](N[6]As[6]C[6a])2(Cl){1|Cl<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]As[6]2){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	111.8010	2.363	2	111.8010	5.584	2	111.8010	5.584	2	111.8010	5.584	2	113.1592	2.360	16	113.1592	2.360	16
856	282	643	0:SP2_SP2_SP3	N[6]	As[6]	C[6a]	3:3:3:	3:3:1:	3:3:3:	As[6]-3:As[6]-3:C[6a]-3:	N[6]-3:N[6]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](As[6]N[6]Cl)2(C[6a]C[6a]2)	As[6](N[6]As[6]C[6a])2(Cl)	C[6a](C[6a]C[6a]C)2(N[6]As[6]2)	N[6](As[6]N[6]Cl)2(C[6a]C[6a]2){1|As<2>,2|C<4>,4|C<3>}	As[6](N[6]As[6]C[6a])2(Cl){1|Cl<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]As[6]2){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	113.8000	0.873	2	113.3532	1.969	14	113.3532	1.969	14	113.3532	1.969	14	113.1592	2.360	16	113.1592	2.360	16
856	282	643	0:SP2_SP2_SP3	N[6]	As[6]	C[6a]	3:3:3:	3:3:1:	3:3:3:	As[6]-3:As[6]-3:C[6a]-3:	N[6]-3:N[6]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](As[6]N[6]Cl)2(C[6a]C[6a]2)	As[6](N[6]As[6]C[6a])2(Cl)	C[6a](C[6a]C[6a]C)2(N[6]As[6]2)	N[6](As[6]N[6]Cl)2(C[6a]C[6a]2){1|As<3>,2|C<4>,4|C<3>}	As[6](N[6]As[6]C[6a])2(Cl){2|Cl<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]As[6]2){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	113.2788	1.488	12	113.3532	1.969	14	113.3532	1.969	14	113.3532	1.969	14	113.1592	2.360	16	113.1592	2.360	16
856	282	643	6:SP2_SP2_SP3	N[6]	As[6]	C[6,6a]	3:3:4:	3:3:1:	3:3:3:	C[6,6a]-3:As[6]-3:C-4:	N[6]-3:N[6]-3:Cl-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(As[6]N[6]Cl)(CCCH)	As[6](N[6]C[6,6a]C)2(Cl)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]As[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(As[6]N[6]Cl)(CCCH){1|C<4>,1|H<1>,3|C<3>}	As[6](N[6]C[6,6a]C)2(Cl){3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]As[6]C){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	121.4535	0.237	2	121.4535	0.056	2	121.4535	0.056	2	121.4535	0.056	2	121.4535	0.056	2	121.4535	0.056	2
856	282	762	0:SP2_SP2_SP3	N[3x6]	As[3x6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[3x6]-3:As[3x6]-3:C[6]-3:	N[3x6]-3:N[3x6]-3:N[3x6]-3:	N[3x6]-3:C[6]-3:H-1:	N[3x6](C[3x6]P[3x6]C[6])(As[3x6]N[3x6]2)(C[6]C[6]H)	As[3x6](N[3x6]C[3x6]C[6])3	C[6](N[3x6]As[3x6]C[3x6])(C[6]C[6]H)(H)	N[3x6](C[3x6]P[3x6]C[6])(As[3x6]N[3x6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	As[3x6](N[3x6]C[3x6]C[6])3{1|P<3>,3|H<1>,6|C<3>}	C[6](N[3x6]As[3x6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>,2|N<3>}	115.1063	0.171	3	115.1063	0.029	3	115.1063	0.029	3	115.1063	0.029	3	115.1063	0.029	3	115.1063	0.029	3
856	282	762	6:SP2_SP2_SP2	N[6]	As[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	As[6]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:As-2:	N[6]-3:C[6]-3:H-1:	N[6](As[6]N[6]As)(C[6a]C[6a]2)(C[6]C[6]H)	As[6](N[6]C[6a]C[6])2(AsAs)	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H)	N[6](As[6]N[6]As)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	As[6](N[6]C[6a]C[6])2(AsAs){2|H<1>,5|C<3>}	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H){1|As<2>,1|H<1>,1|N<3>,4|C<3>}	122.4115	0.472	2	122.4115	0.222	2	122.4115	0.222	2	122.4115	0.222	2	122.4115	0.222	2	122.4115	0.222	2
856	282	762	6:SP2_SP2_SP3	N[3x6]	As[3x6]	C[3x6]	3:3:3:	3:3:3:	3:3:3:	C[3x6]-3:As[3x6]-3:C[6]-3:	N[3x6]-3:N[3x6]-3:N[3x6]-3:	N[3x6]-3:P[3x6]-3:C[6]-3:	N[3x6](C[3x6]P[3x6]C[6])(As[3x6]N[3x6]2)(C[6]C[6]H)	As[3x6](N[3x6]C[3x6]C[6])3	C[3x6](N[3x6]As[3x6]C[6])(P[3x6]C[3x6]2)(C[6]C[6]H)	N[3x6](C[3x6]P[3x6]C[6])(As[3x6]N[3x6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	As[3x6](N[3x6]C[3x6]C[6])3{1|P<3>,3|H<1>,6|C<3>}	C[3x6](N[3x6]As[3x6]C[6])(P[3x6]C[3x6]2)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	123.2483	0.359	3	123.2483	0.129	3	123.2483	0.129	3	123.2483	0.129	3	123.2483	0.129	3	123.2483	0.129	3
856	282	882	6:SP2_SP2_SP3	N[6,6]	As[6,6]	P[4,6,6]	3:3:4:	3:3:3:	3:3:3:	As[6,6]-3:P[4,6,6]-3:C-4:	N[6,6]-3:N[6,6]-3:C[6a]-3:	N[4,6]-3:N[4,6]-3:N[6,6]-3:	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3)	As[6,6](N[6,6]P[4,6,6]C)2(C[6a]C[6a]2)	P[4,6,6](N[4,6]P[4,6,6]C)2(N[6,6]As[6,6]C)	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3){1|P<3>,2|C<3>,3|C<4>}	As[6,6](N[6,6]P[4,6,6]C)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<3>}	P[4,6,6](N[4,6]P[4,6,6]C)2(N[6,6]As[6,6]C){1|C<3>,1|N<3>}	123.3060	0.000	1	123.3060	0.000	1	123.3060	0.000	1	123.3060	0.000	1	123.3060	0.000	1	123.3060	0.000	1
856	282	882	6:SP3_SP2_SP3	N[6,6]	As[6,6]	P[4,6,6]	3:3:4:	3:3:3:	3:3:3:	As[6,6]-3:P[4,6,6]-3:C-4:	N[6,6]-3:N[6,6]-3:C[6a]-3:	N[4,6]-3:N[4,6]-3:N[6,6]-3:	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3)	As[6,6](N[6,6]P[4,6,6]C)2(C[6a]C[6a]2)	P[4,6,6](N[4,6]P[4,6,6]C)2(N[6,6]As[6,6]C)	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3){1|P<3>,2|C<3>,3|C<4>}	As[6,6](N[6,6]P[4,6,6]C)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<3>}	P[4,6,6](N[4,6]P[4,6,6]C)2(N[6,6]As[6,6]C){1|C<3>,1|N<3>}	122.9790	0.000	1	122.9790	0.000	1	122.9790	0.000	1	122.9790	0.000	1	122.9790	0.000	1	122.9790	0.000	1
856	282	966	6:SP2_SP2_SP3	N[6]	As[6]	As[6]	3:3:2:	3:3:1:	3:3:	As[6]-3:C[6a]-3:As[6]-2:	N[6]-3:N[6]-3:Cl-1:	N[6]-3:N[6]-3:	N[6](As[6]N[6]Cl)(C[6a]C[6a]2)(As[6]N[6])	As[6](N[6]As[6]C[6a])2(Cl)	As[6](N[6]As[6]C[6a])2	N[6](As[6]N[6]Cl)(C[6a]C[6a]2)(As[6]N[6]){1|As<3>,2|C<4>,4|C<3>}	As[6](N[6]As[6]C[6a])2(Cl){1|Cl<1>,1|N<3>,4|C<3>}	As[6](N[6]As[6]C[6a])2{2|Cl<1>,1|N<3>,4|C<3>}	132.1560	3.297	2	132.1560	10.867	2	132.1560	10.867	2	132.1560	10.867	2	132.1560	10.867	2	132.1560	10.867	2
856	286	490	0:SP2_SP3_SP3	N[6]	S[6]	C	4:2:4:	3:2:	3:4:4:4:	P[6]-4:S[6]-2:C-4:	N[6]-3:S[6]-2:	N[6]-3:C-4:C-4:C-4:	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3)	S[6](N[6]P[6]C)(S[6]S[6])	C(N[6]P[6]S[6])(CH3)3	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3){1|C<4>,1|S<2>,2|C<3>}	S[6](N[6]P[6]C)(S[6]S[6]){1|C<3>,1|N<3>,1|O<1>}	C(N[6]P[6]S[6])(CH3)3	120.3890	0.000	1	120.3890	0.000	1	120.3890	0.000	1	120.3890	0.000	1	120.3890	0.000	1	120.3890	0.000	1
856	286	490	0:SP3_SP3_SP3	N[6]	S[6]	C	4:2:4:	3:2:	3:4:4:4:	P[6]-4:S[6]-2:C-4:	N[6]-3:S[6]-2:	N[6]-3:C-4:C-4:C-4:	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3)	S[6](N[6]P[6]C)(S[6]S[6])	C(N[6]P[6]S[6])(CH3)3	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3){1|C<4>,1|S<2>,2|C<3>}	S[6](N[6]P[6]C)(S[6]S[6]){1|C<3>,1|N<3>,1|O<1>}	C(N[6]P[6]S[6])(CH3)3	115.1490	0.000	1	115.1490	0.000	1	115.1490	0.000	1	115.1490	0.000	1	115.1490	0.000	1	115.1490	0.000	1
856	286	849	6:SP2_SP3_SP3	N[6]	S[6]	P[6]	4:2:4:	3:2:	3:3:3:1:	P[6]-4:S[6]-2:C-4:	N[6]-3:S[6]-2:	C[6a]-3:N[6]-3:N[6]-3:O-1:	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3)	S[6](N[6]P[6]C)(S[6]S[6])	P[6](C[6a]C[6a]2)(N[6]S[6]C)2(O)	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3){1|C<4>,1|S<2>,2|C<3>}	S[6](N[6]P[6]C)(S[6]S[6]){1|C<3>,1|N<3>,1|O<1>}	P[6](C[6a]C[6a]2)(N[6]S[6]C)2(O){1|S<2>,2|C<3>,2|H<1>}	114.5790	0.000	1	114.5790	0.000	1	114.5790	0.000	1	114.5790	0.000	1	114.5790	0.000	1	114.5790	0.000	1
856	286	849	6:SP3_SP3_SP3	N[6]	S[6]	P[6]	4:2:4:	3:2:	3:3:3:1:	P[6]-4:S[6]-2:C-4:	N[6]-3:S[6]-2:	C[6a]-3:N[6]-3:N[6]-3:O-1:	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3)	S[6](N[6]P[6]C)(S[6]S[6])	P[6](C[6a]C[6a]2)(N[6]S[6]C)2(O)	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3){1|C<4>,1|S<2>,2|C<3>}	S[6](N[6]P[6]C)(S[6]S[6]){1|C<3>,1|N<3>,1|O<1>}	P[6](C[6a]C[6a]2)(N[6]S[6]C)2(O){1|S<2>,2|C<3>,2|H<1>}	114.9110	0.000	1	114.9110	0.000	1	114.9110	0.000	1	114.9110	0.000	1	114.9110	0.000	1	114.9110	0.000	1
856	310	762	0:SP2_SP2_SP3	N[6]	Ge	C[6]	4:3:4:	3:1:1:1:	3:3:3:	Ge[6]-4:C[6]-3:Ge-4:	N[6]-3:Cl-1:Cl-1:Cl-1:	N[6]-3:C[6]-3:N-3:	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(GeCl3)	Ge(N[6]Ge[6]C[6])(Cl)3	C[6](N[6]Ge[6]Ge)(C[6]C[6]H)(NCC)	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(GeCl3){1|C<3>,2|H<1>}	Ge(N[6]Ge[6]C[6])(Cl)3	C[6](N[6]Ge[6]Ge)(C[6]C[6]H)(NCC){2|Cl<1>,2|N<3>}	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1
856	314	466	0:SP2_SP1_SP3	N[6]	Ge[6]	C[3x6]	4:3:2:	3:3:	4:4:4:3:	C[3x6]-4:C[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	N[6](C[3x6]C[6,6]3)(C[6]N[6]O)(Ge[6]N[6])	Ge[6](N[6]C[3x6]C[6])(N[6]C[6a]B[6])	C[3x6](C[6,6]C[3x6]HH)3(N[6]Ge[6]C[6])	N[6](C[3x6]C[6,6]3)(C[6]N[6]O)(Ge[6]N[6]){1|B<3>,2|C<3>,3|C<4>,6|H<1>}	Ge[6](N[6]C[3x6]C[6])(N[6]C[6a]B[6]){1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)3(N[6]Ge[6]C[6]){1|O<1>,2|N<3>,3|C<4>,3|H<1>}	119.0690	0.000	1	119.0690	0.000	1	119.0690	0.000	1	119.0690	0.000	1	119.0690	0.000	1	119.0690	0.000	1
856	314	466	6:SP2_SP1_SP3	N[6]	Ge[6]	C[6]	3:4:2:	3:3:	3:3:4:1:	C[6a]-3:C[6]-4:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(Ge[6]N[6])	Ge[6](N[6]C[6a]C[6])2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2{1|H<1>,2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|N<3>,2|C<3>}	125.3390	0.000	1	125.3390	0.000	1	125.3390	0.000	1	125.3390	0.000	1	124.9412	4.500	4	124.9412	4.500	4
856	314	466	6:SP2_SP1_SP3	N[6]	Ge[6]	C[6]	3:4:2:	3:3:	3:4:1:1:	B[5a]-3:C[6]-4:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](B[5a]N[5a]2)(C[6]C[6]HH)(Ge[6]N[6])	Ge[6](N[6]B[5a]C[6])2	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2	N[6](B[5a]N[5a]2)(C[6]C[6]HH)(Ge[6]N[6]){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	Ge[6](N[6]B[5a]C[6])2{1|C<4>,4|H<1>,4|N<3>}	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2{2|H<1>,3|N<3>}	123.5145	1.800	2	123.5145	3.239	2	123.5145	3.239	2	123.5145	3.239	2	124.9412	4.500	4	124.9412	4.500	4
856	314	466	6:SP2_SP1_SP3	N[6]	Ge[6]	C[6]	4:3:2:	3:3:	3:3:3:1:	C[6]-4:C[6a]-3:Ge[6]-2:	N[6]-3:N[6]-3:	C[6,6]-3:N[6]-3:C[6a]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(Ge[6]N[6])	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(Ge[6]N[6]){3|C<4>,6|C<3>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	127.3970	0.000	1	127.3970	0.000	1	127.3970	0.000	1	127.3970	0.000	1	124.9412	4.500	4	124.9412	4.500	4
856	314	466	6:SP3_SP1_SP3	N[6]	Ge[6]	C[6]	2:4:4:	3:3:	4:3:1:1:	Ge[6]-2:C[6]-4:C-4:	C[5,6]-3:N[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6](Ge[6]C[5,6])(C[6]C[6]HH)(CC3)	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6]C)	C[6](C[6]N[5,6]HH)(N[6]Ge[6]C)(H)2	N[6](Ge[6]C[5,6])(C[6]C[6]HH)(CC3){2|H<1>,2|N<3>}	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5,6]HH)(N[6]Ge[6]C)(H)2{2|C<3>}	117.1690	0.000	1	117.0670	0.021	2	117.0670	0.021	2	117.0670	0.021	2	117.0670	0.021	2	117.0670	0.021	2
856	314	466	6:SP3_SP1_SP3	N[6]	Ge[6]	C[6]	2:4:4:	3:3:	4:3:1:1:	Ge[6]-2:C[6]-4:C-4:	C[5,6]-3:N[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6](Ge[6]C[5,6])(C[6]C[6]HH)(CC3)	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6]C)	C[6](C[6]N[5,6]HH)(N[6]Ge[6]C)(H)2	N[6](Ge[6]C[5,6])(C[6]C[6]HH)(CC3){2|H<1>,2|N<3>}	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(N[6]Ge[6]C)(H)2{2|C<3>}	116.9650	0.000	1	117.0670	0.021	2	117.0670	0.021	2	117.0670	0.021	2	117.0670	0.021	2	117.0670	0.021	2
856	314	490	0:SP2_SP1_SP3	N[6]	Ge[6]	C	3:2:4:	3:3:	3:4:4:4:	C[6]-3:Ge[6]-2:C-4:	N[6]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]N[6]O)(Ge[6]N[6])(CC3)	Ge[6](N[6]C[6a]B[6])(N[6]C[6]C)	C(N[6]Ge[6]C[6])(CH3)3	N[6](C[6]N[6]O)(Ge[6]N[6])(CC3){1|B<3>,2|C<3>}	Ge[6](N[6]C[6a]B[6])(N[6]C[6]C){1|O<1>,2|C<3>,2|N<3>}	C(N[6]Ge[6]C[6])(CH3)3	117.0135	0.166	2	117.0135	0.028	2	117.0135	0.028	2	117.0135	0.028	2	117.0135	0.028	2	117.0135	0.028	2
856	314	490	0:SP3_SP1_SP3	N[6]	Ge[6]	C	2:4:4:	3:3:	3:4:4:4:	Ge[6]-2:C[6]-4:C-4:	C[5,6]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]C[5,6])(C[6]C[6]HH)(CC3)	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6]C)	C(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]C[5,6])(C[6]C[6]HH)(CC3){2|H<1>,2|N<3>}	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C(N[6]Ge[6]C[6])(CH3)3	118.4430	0.000	1	119.4750	2.130	2	119.4750	2.130	2	119.4750	2.130	2	119.4750	2.130	2	119.4750	2.130	2
856	314	490	0:SP3_SP1_SP3	N[6]	Ge[6]	C	2:4:4:	3:3:	3:4:4:4:	Ge[6]-2:C[6]-4:C-4:	C[5,6]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]C[5,6])(C[6]C[6]HH)(CC3)	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6]C)	C(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]C[5,6])(C[6]C[6]HH)(CC3){2|H<1>,2|N<3>}	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	C(N[6]Ge[6]C[6])(CH3)3	120.5070	0.000	1	119.4750	2.130	2	119.4750	2.130	2	119.4750	2.130	2	119.4750	2.130	2	119.4750	2.130	2
856	314	618	6:SP2_SP1_SP2	N[6]	Ge[6]	B[6]	3:3:2:	3:3:	3:3:3:	C[6a]-3:B[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:N[6]-3:N-3:	N[6](C[6a]C[6a]2)(B[6]N[6]N)(Ge[6]N[6])	Ge[6](N[6]C[3x6]C[6])(N[6]C[6a]B[6])	B[6](N[6]C[6a]Ge[6])(N[6]C[6a]C[6])(NCC)	N[6](C[6a]C[6a]2)(B[6]N[6]N)(Ge[6]N[6]){3|C<4>,4|C<3>}	Ge[6](N[6]C[3x6]C[6])(N[6]C[6a]B[6]){1|O<1>,2|C<3>,2|N<3>,3|C<4>}	B[6](N[6]C[6a]Ge[6])(N[6]C[6a]C[6])(NCC){1|N<3>,1|O<1>,4|C<3>}	127.4670	0.000	1	127.4670	0.000	1	127.0253	2.991	3	127.0253	2.991	3	127.0253	2.991	3	127.0253	2.991	3
856	314	618	6:SP2_SP1_SP2	N[6]	Ge[6]	B[6]	3:3:2:	3:3:	3:3:3:	C[6a]-3:B[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:N[6]-3:N-3:	N[6](C[6a]C[6a]2)(B[6]N[6]N)(Ge[6]N[6])	Ge[6](N[6]C[6a]B[6])(N[6]C[6]C)	B[6](N[6]C[6a]Ge[6])(N[6]C[6a]C[6])(NCC)	N[6](C[6a]C[6a]2)(B[6]N[6]N)(Ge[6]N[6]){3|C<4>,4|C<3>}	Ge[6](N[6]C[6a]B[6])(N[6]C[6]C){1|O<1>,2|C<3>,2|N<3>}	B[6](N[6]C[6a]Ge[6])(N[6]C[6a]C[6])(NCC){1|N<3>,1|O<1>,4|C<3>}	126.8045	2.385	2	126.8045	5.689	2	127.0253	2.991	3	127.0253	2.991	3	127.0253	2.991	3	127.0253	2.991	3
856	314	643	0:SP2_SP1_SP2	N[6]	Ge[6]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]O[6])	Ge[6](N[6]C[6a]C[6])(O[6]C[6])	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]O[6]){1|H<1>,3|C<3>,3|C<4>}	Ge[6](N[6]C[6a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3510	0.000	1	121.3510	0.000	1	121.3510	0.000	1	121.3510	0.000	1	112.3660	16.144	21	112.3660	16.144	21
856	314	643	0:SP2_SP1_SP2	N[6]	Ge[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5,6,6]-3:C[6a]-3:Ge[6]-2:	N[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(Ge[6]C[6])	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[4,6]P)	C[6a](N[6]C[5,6,6]Ge[6])(C[6a]C[6a]C)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(Ge[6]C[6]){1|H<1>,1|P<3>,1|P<4>,2|C<3>,5|C<4>}	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[4,6]P){1|C<4>,2|N<3>,3|C<3>}	C[6a](N[6]C[5,6,6]Ge[6])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,3|C<3>}	115.4820	0.000	1	115.4820	0.000	1	115.6335	0.046	2	111.4233	10.937	18	112.3660	16.144	21	112.3660	16.144	21
856	314	643	0:SP2_SP1_SP2	N[6]	Ge[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5,6,6]-3:C[6a]-3:Ge[6]-2:	N[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(Ge[6]C[6])	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[5,6]P)	C[6a](N[6]C[5,6,6]Ge[6])(C[6a]C[6a]C)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(Ge[6]C[6]){1|H<1>,1|P<3>,1|P<4>,2|C<3>,5|C<4>}	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[5,6]P){1|C<4>,2|N<3>,3|C<3>}	C[6a](N[6]C[5,6,6]Ge[6])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,3|C<3>}	115.7850	0.000	1	115.7850	0.000	1	115.6335	0.046	2	111.4233	10.937	18	112.3660	16.144	21	112.3660	16.144	21
856	314	643	0:SP2_SP1_SP2	N[6]	Ge[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6]-3:C[6a]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6])	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]){1|H<1>,4|C<3>,4|C<4>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6]){7|C<3>}	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	112.3160	0.000	1	112.2590	0.006	2	112.2590	0.006	2	111.4233	10.937	18	112.3660	16.144	21	112.3660	16.144	21
856	314	643	0:SP2_SP1_SP2	N[6]	Ge[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6]-3:C[6a]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6])	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]){2|H<1>,3|C<3>,5|C<4>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,6|C<3>}	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.2020	0.000	1	112.2590	0.006	2	112.2590	0.006	2	111.4233	10.937	18	112.3660	16.144	21	112.3660	16.144	21
856	314	643	0:SP2_SP1_SP2	N[6]	Ge[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6])	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]){3|C<4>,6|C<3>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6]){7|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	111.4233	10.937	18	112.3660	16.144	21	112.3660	16.144	21
856	314	643	0:SP2_SP1_SP2	N[6]	Ge[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:B[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]N)(Ge[6]N[6])	Ge[6](N[6]C[3x6]C[6])(N[6]C[6a]B[6])	C[6a](N[6]Ge[6]B[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(B[6]N[6]N)(Ge[6]N[6]){3|C<4>,4|C<3>}	Ge[6](N[6]C[3x6]C[6])(N[6]C[6a]B[6]){1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6a](N[6]Ge[6]B[6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,3|N<3>}	107.8380	0.000	1	107.8380	0.000	1	107.2023	0.539	3	111.4233	10.937	18	112.3660	16.144	21	112.3660	16.144	21
856	314	643	0:SP2_SP1_SP2	N[6]	Ge[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:B[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]N)(Ge[6]N[6])	Ge[6](N[6]C[6a]B[6])(N[6]C[6]C)	C[6a](N[6]Ge[6]B[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(B[6]N[6]N)(Ge[6]N[6]){3|C<4>,4|C<3>}	Ge[6](N[6]C[6a]B[6])(N[6]C[6]C){1|O<1>,2|C<3>,2|N<3>}	C[6a](N[6]Ge[6]B[6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,3|N<3>}	106.8845	0.687	2	106.8845	0.471	2	107.2023	0.539	3	111.4233	10.937	18	112.3660	16.144	21	112.3660	16.144	21
856	314	643	0:SP2_SP1_SP2	N[6]	Ge[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	Ge[6](N[6]C[6a]C[6])2	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2{1|C<4>,6|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.6870	0.000	1	111.4956	13.305	8	111.6169	10.414	10	111.4233	10.937	18	112.3660	16.144	21	112.3660	16.144	21
856	314	643	0:SP2_SP1_SP2	N[6]	Ge[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	Ge[6](N[6]C[6a]C[6])2	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2{1|C<4>,6|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	115.7430	0.000	1	111.4956	13.305	8	111.6169	10.414	10	111.4233	10.937	18	112.3660	16.144	21	112.3660	16.144	21
856	314	643	0:SP2_SP1_SP2	N[6]	Ge[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	Ge[6](N[6]C[6a]C[6])2	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2{2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.3336	3.312	5	111.4956	13.305	8	111.6169	10.414	10	111.4233	10.937	18	112.3660	16.144	21	112.3660	16.144	21
856	314	643	0:SP2_SP1_SP2	N[6]	Ge[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	Ge[6](N[6]C[6a]C[6])2	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,3|C<3>,3|C<4>}	Ge[6](N[6]C[6a]C[6])2{1|H<1>,2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	108.8670	0.000	1	111.4956	13.305	8	111.6169	10.414	10	111.4233	10.937	18	112.3660	16.144	21	112.3660	16.144	21
856	314	643	0:SP2_SP1_SP2	N[6]	Ge[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]N)(Ge[6]N[6])	Ge[6](N[6]C[6a]C[6])2	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]N)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2{2|N<3>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{2|C<3>,2|H<1>,2|N<3>}	112.1020	0.004	2	112.1020	0.000	2	111.6169	10.414	10	111.4233	10.937	18	112.3660	16.144	21	112.3660	16.144	21
856	314	643	0:SP2_SP1_SP2	N[6]	Ge[6]	C[6a]	3:4:2:	3:3:	3:3:3:	C[6a]-3:C[6]-4:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(Ge[6]N[6])	Ge[6](N[6]C[6a]C[6])2	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2{1|H<1>,2|C<4>,5|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	114.3150	0.000	1	114.3150	0.000	1	114.3150	0.000	1	114.3150	0.000	1	112.3660	16.144	21	112.3660	16.144	21
856	314	643	0:SP2_SP1_SP2	N[6]	Ge[6]	C[6a]	4:3:2:	3:3:	3:3:3:	C[6]-4:C[6a]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(Ge[6]N[6])	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(Ge[6]N[6]){3|C<4>,6|C<3>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,6|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	118.4010	0.000	1	118.4010	0.000	1	118.4010	0.000	1	118.4010	0.000	1	112.3660	16.144	21	112.3660	16.144	21
856	314	762	6:SP2_SP1_SP2	N[6]	Ge[6]	C[6,6]	3:3:2:	3:3:	3:3:3:	C[6,6]-3:C[6a]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6])	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]){1|H<1>,4|C<3>,4|C<4>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6]){7|C<3>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	130.0460	0.000	1	130.0460	0.000	1	130.0460	0.000	1	130.0460	0.000	1	127.7755	10.310	2	125.9246	7.299	17
856	314	762	6:SP2_SP1_SP2	N[6]	Ge[6]	C[6,6]	3:3:2:	3:3:	3:3:4:	C[6,6]-3:C[6a]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6])	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]){2|H<1>,3|C<3>,5|C<4>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,6|C<3>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	125.5050	0.000	1	125.5050	0.000	1	125.5050	0.000	1	125.5050	0.000	1	127.7755	10.310	2	125.9246	7.299	17
856	314	762	6:SP2_SP1_SP2	N[6]	Ge[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:Ge[6]-2:C-4:	N[6]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]O)(Ge[6]N[6])(CC3)	Ge[6](N[6]C[6a]B[6])(N[6]C[6]C)	C[6](N[6]C[6a]B[6])(N[6]Ge[6]C)(O)	N[6](C[6]N[6]O)(Ge[6]N[6])(CC3){1|B<3>,2|C<3>}	Ge[6](N[6]C[6a]B[6])(N[6]C[6]C){1|O<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]B[6])(N[6]Ge[6]C)(O){2|C<3>,2|N<3>}	126.7825	3.901	2	126.7825	15.219	2	126.7825	15.219	2	126.7825	15.219	2	125.6779	7.050	15	125.9246	7.299	17
856	314	762	6:SP2_SP1_SP2	N[6]	Ge[6]	C[6]	3:3:2:	3:2:	3:4:3:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:O[6]-2:	N[6]-3:C[6]-4:C-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]O[6])	Ge[6](N[6]C[6a]C[6])(O[6]C[6])	C[6](N[6]C[6a]Ge[6])(C[6]C[6]CH)(CHH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]O[6]){1|H<1>,3|C<3>,3|C<4>}	Ge[6](N[6]C[6a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]CH)(CHH){1|H<1>,1|O<2>,3|C<3>}	119.4180	0.000	1	119.4180	0.000	1	119.4180	0.000	1	119.4180	0.000	1	125.6779	7.050	15	125.9246	7.299	17
856	314	762	6:SP2_SP1_SP2	N[6]	Ge[6]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:Ge[6]-2:	N[6]-3:N[6]-3:	C[6,6]-3:N[6]-3:C[6a]-3:	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6])	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]){3|C<4>,6|C<3>}	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6]){7|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	125.9030	0.000	1	125.9030	0.000	1	125.9030	0.000	1	125.0623	1.233	4	125.6779	7.050	15	125.9246	7.299	17
856	314	762	6:SP2_SP1_SP2	N[6]	Ge[6]	C[6]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	Ge[6](N[6]C[6a]C[6])2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2{1|C<4>,6|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>}	126.0600	0.000	1	126.0600	0.000	1	126.0600	0.000	1	125.0623	1.233	4	125.6779	7.050	15	125.9246	7.299	17
856	314	762	6:SP2_SP1_SP2	N[6]	Ge[6]	C[6]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-3:N-3:	N[6](C[6a]C[6a]2)(C[6]C[6]N)(Ge[6]N[6])	Ge[6](N[6]C[6a]C[6])2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(NCC)	N[6](C[6a]C[6a]2)(C[6]C[6]N)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2{2|N<3>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(NCC){2|C<3>,2|N<3>}	124.1430	0.553	2	124.1430	0.306	2	124.1430	0.306	2	125.0623	1.233	4	125.6779	7.050	15	125.9246	7.299	17
856	314	762	6:SP2_SP1_SP2	N[6]	Ge[6]	C[6]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	Ge[6](N[6]C[6a]C[6])2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CBHH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2{2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CBHH){1|C<4>,1|N<3>,2|C<3>}	128.5070	0.000	1	128.5070	0.000	1	127.0090	2.729	7	127.0090	2.729	7	125.6779	7.050	15	125.9246	7.299	17
856	314	762	6:SP2_SP1_SP2	N[6]	Ge[6]	C[6]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	Ge[6](N[6]C[6a]C[6])2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2{2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	127.3760	0.000	1	126.3670	2.036	2	127.0090	2.729	7	127.0090	2.729	7	125.6779	7.050	15	125.9246	7.299	17
856	314	762	6:SP2_SP1_SP2	N[6]	Ge[6]	C[6]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	Ge[6](N[6]C[6a]C[6])2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,3|C<3>,3|C<4>}	Ge[6](N[6]C[6a]C[6])2{1|H<1>,2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.3580	0.000	1	126.3670	2.036	2	127.0090	2.729	7	127.0090	2.729	7	125.6779	7.050	15	125.9246	7.299	17
856	314	762	6:SP2_SP1_SP2	N[6]	Ge[6]	C[6]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	Ge[6](N[6]C[6a]C[6])2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2{1|C<4>,6|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,3|C<3>}	124.1080	0.000	1	126.9555	3.753	4	127.0090	2.729	7	127.0090	2.729	7	125.6779	7.050	15	125.9246	7.299	17
856	314	762	6:SP2_SP1_SP2	N[6]	Ge[6]	C[6]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	Ge[6](N[6]C[6a]C[6])2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2{2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	127.9047	0.473	3	126.9555	3.753	4	127.0090	2.729	7	127.0090	2.729	7	125.6779	7.050	15	125.9246	7.299	17
856	314	762	6:SP2_SP1_SP2	N[6]	Ge[6]	C[6]	4:3:2:	3:3:	3:3:1:	C[3x6]-4:C[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[3x6]C[6,6]3)(C[6]N[6]O)(Ge[6]N[6])	Ge[6](N[6]C[3x6]C[6])(N[6]C[6a]B[6])	C[6](N[6]C[3x6]Ge[6])(N[6]C[6a]B[6])(O)	N[6](C[3x6]C[6,6]3)(C[6]N[6]O)(Ge[6]N[6]){1|B<3>,2|C<3>,3|C<4>,6|H<1>}	Ge[6](N[6]C[3x6]C[6])(N[6]C[6a]B[6]){1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6](N[6]C[3x6]Ge[6])(N[6]C[6a]B[6])(O){2|C<3>,2|N<3>,3|C<4>}	122.8730	0.000	1	122.8730	0.000	1	122.8730	0.000	1	122.8730	0.000	1	125.6779	7.050	15	125.9246	7.299	17
856	314	818	6:SP2_SP1_SP2	N[6]	Ge[6]	C[5,6,6]	3:3:2:	3:3:	3:4:3:	C[5,6,6]-3:C[6a]-3:Ge[6]-2:	N[6]-3:C[6]-3:	C[5,6,6]-3:C[5,5,6]-4:N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(Ge[6]C[6])	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[4,6]P)	C[5,6,6](C[5,6,6]C[5,5,6]P[4,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(Ge[6]C[6]){1|H<1>,1|P<3>,1|P<4>,2|C<3>,5|C<4>}	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[4,6]P){1|C<4>,2|N<3>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]P[4,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6]){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	125.5950	0.000	1	125.5950	0.000	1	126.0205	0.362	2	126.0205	0.362	2	126.0205	0.362	2	126.0205	0.362	2
856	314	818	6:SP2_SP1_SP2	N[6]	Ge[6]	C[5,6,6]	3:3:2:	3:3:	3:4:3:	C[5,6,6]-3:C[6a]-3:Ge[6]-2:	N[6]-3:C[6]-3:	C[5,6,6]-3:C[5,5,6]-4:N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(Ge[6]C[6])	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[5,6]P)	C[5,6,6](C[5,6,6]C[5,5,6]P[5,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(Ge[6]C[6]){1|H<1>,1|P<3>,1|P<4>,2|C<3>,5|C<4>}	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[5,6]P){1|C<4>,2|N<3>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]P[5,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6]){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	126.4460	0.000	1	126.4460	0.000	1	126.0205	0.362	2	126.0205	0.362	2	126.0205	0.362	2	126.0205	0.362	2
856	338	466	6:SP2_SP3_SPD5	N[6,6]	Ga[3x6]	C[6]	5:3:4:	3:3:2:2:1:	3:4:1:1:	Ga[3x6]-5:C[6]-3:C[6]-4:	N[6,6]-3:N[6,6]-3:O[6]-2:O[6]-2:Cl-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6,6a]H)(C[6]C[6]HH)	Ga[3x6](N[6,6]C[6]2)2(O[6]C[6,6a])2(Cl)	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]CC)(H)2	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6,6a]H)(C[6]C[6]HH){3|C<4>,4|C<3>}	Ga[3x6](N[6,6]C[6]2)2(O[6]C[6,6a])2(Cl){1|C<4>,4|C<3>,6|H<1>}	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]CC)(H)2{1|Cl<1>,1|C<3>,1|N<3>,2|O<2>,3|H<1>}	116.9525	3.658	2	116.9525	13.380	2	116.9525	13.380	2	116.9525	13.380	2	117.4772	5.498	4	117.4772	5.498	4
856	338	466	6:SP2_SP3_SPD5	N[6,6]	Ga[3x6]	C[6]	5:4:3:	3:3:2:2:1:	3:4:1:1:	Ga[3x6]-5:C[6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:O[6]-2:O[6]-2:Cl-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C)	Ga[3x6](N[6,6]C[6]2)2(O[6]C[6])2(Cl)	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	Ga[3x6](N[6,6]C[6]2)2(O[6]C[6])2(Cl){2|C<3>,4|H<1>,5|C<4>}	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	118.0020	1.418	2	118.0020	2.012	2	118.0020	2.012	2	118.0020	2.012	2	117.4772	5.498	4	117.4772	5.498	4
856	338	490	0:SP2_SP3_SPD5	N[6]	Ga[6,6]	C	5:3:4:	2:2:3:3:1:	3:3:4:1:	Ga[6,6]-5:C[6]-3:C-4:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:Cl-1:	N[6]-3:C[6a]-3:C-4:H-1:	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6,6a]H)(CC[6a]CH)	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]C)2(Cl)	C(N[6]Ga[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6,6a]H)(CC[6a]CH){1|C<4>,4|C<3>}	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]C)2(Cl){2|H<1>,4|C<3>}	C(N[6]Ga[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	119.7380	0.351	2	119.7380	0.123	2	119.7380	0.123	2	119.7380	0.123	2	115.9637	10.024	6	115.9637	10.024	6
856	338	490	0:SP2_SP3_SPD5	N[6]	Ga[6,6]	C	5:3:4:	3:2:2:4:3:	3:4:1:1:	Ga[6,6]-5:C[6]-3:C-4:	N[5]-3:O[6]-2:O[6]-2:N[6]-4:N[6]-3:	N[6]-3:C-4:H-1:H-1:	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]H)(CCHH)	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)(N[6]C[6]C)	C(N[6]Ga[6,6]C[6])(CHHN)(H)2	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C(N[6]Ga[6,6]C[6])(CHHN)(H)2	112.9040	0.000	1	112.9040	0.000	1	112.9040	0.000	1	112.9040	0.000	1	115.9637	10.024	6	115.9637	10.024	6
856	338	490	0:SP2_SP3_SPD5	N[6]	Ga[6,6]	C	5:3:4:	3:3:2:2:1:	3:4:1:1:	Ga[6,6]-5:C[6]-3:C-4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:Cl-1:	N[6]-3:C-4:H-1:H-1:	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCHH)	Ga[6,6](N[6]C[6]C)2(O[6]C[6])2(Cl)	C(N[6]Ga[6,6]C[6])(CCHH)(H)2	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,3|C<3>}	Ga[6,6](N[6]C[6]C)2(O[6]C[6])2(Cl){2|C<3>,4|C<4>}	C(N[6]Ga[6,6]C[6])(CCHH)(H)2	115.4170	0.129	2	115.4170	0.017	2	115.4170	0.017	2	115.4170	0.017	2	115.9637	10.024	6	115.9637	10.024	6
856	338	490	0:SP2_SP3_SPD5	N[6]	Ga[6,6]	C	5:3:4:	3:3:2:2:1:	3:4:4:1:	Ga[6,6]-5:C[6]-3:C-4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:Cl-1:	N[6]-3:C-4:C-4:H-1:	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCCH)	Ga[6,6](N[6]C[6]C)2(O[6]C[6])2(Cl)	C(N[6]Ga[6,6]C[6])(CH3)2(H)	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCCH){1|C<4>,1|H<1>,3|C<3>}	Ga[6,6](N[6]C[6]C)2(O[6]C[6])2(Cl){2|C<3>,4|C<4>}	C(N[6]Ga[6,6]C[6])(CH3)2(H)	112.5680	0.000	1	112.5680	0.000	1	112.5680	0.000	1	112.5680	0.000	1	115.9637	10.024	6	115.9637	10.024	6
856	338	762	0:SP2_SP2_SPD5	N[6,6]	Ga[6]	C[6]	5:3:3:	3:3:3:1:1:	3:3:1:	Ga[6]-5:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:N[6]-3:Cl-1:Cl-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](Ga[6]N[6,6]N[6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	Ga[6](N[6,6]C[6,6]C[6])2(N[6]C[6]2)(Cl)2	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H)	N[6,6](Ga[6]N[6,6]N[6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,5|C<3>}	Ga[6](N[6,6]C[6,6]C[6])2(N[6]C[6]2)(Cl)2{2|C<4>,3|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	117.0205	0.042	2	117.0205	0.002	2	117.0205	0.002	2	117.0205	0.002	2	117.0205	0.002	2	119.6050	13.856	6
856	338	762	0:SP2_SP2_SPD5	N[6]	Ga[3x6]	C[6]	5:3:3:	3:3:2:2:3:	3:3:1:	Ga[3x6]-5:C[6]-3:C[6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](Ga[3x6]N[5a,6,6]2O[6]2)(C[6]C[6]H)2	Ga[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(N[6]C[6]2)	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	N[6](Ga[3x6]N[5a,6,6]2O[6]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	Ga[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(N[6]C[6]2){11|C<3>,2|H<1>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	121.1635	1.713	2	121.1635	2.935	2	121.1635	2.935	2	121.1635	2.935	2	121.1635	2.935	2	119.6050	13.856	6
856	338	762	0:SP2_SP2_SPD5	N[6]	Ga[6]	C[6]	5:3:3:	3:3:3:1:1:	3:3:1:	Ga[6]-5:C[6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:N[6]-3:Cl-1:Cl-1:	N[6]-3:C[6]-3:H-1:	N[6](Ga[6]N[6,6]2Cl2)(C[6]C[6]C)(C[6]C[6]H)	Ga[6](N[6,6]C[6,6]C[6])2(N[6]C[6]2)(Cl)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	N[6](Ga[6]N[6,6]2Cl2)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,5|C<3>}	Ga[6](N[6,6]C[6,6]C[6])2(N[6]C[6]2)(Cl)2{2|C<4>,3|H<1>,6|C<3>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	115.8340	0.000	1	115.8340	0.000	1	115.8340	0.000	1	115.8340	0.000	1	120.6310	46.022	2	119.6050	13.856	6
856	338	762	0:SP2_SP2_SPD5	N[6]	Ga[6]	C[6]	5:3:3:	3:3:3:1:1:	3:3:4:	Ga[6]-5:C[6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:N[6]-3:Cl-1:Cl-1:	N[6]-3:C[6]-3:C-4:	N[6](Ga[6]N[6,6]2Cl2)(C[6]C[6]C)(C[6]C[6]H)	Ga[6](N[6,6]C[6,6]C[6])2(N[6]C[6]2)(Cl)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(CC[6a]HH)	N[6](Ga[6]N[6,6]2Cl2)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,5|C<3>}	Ga[6](N[6,6]C[6,6]C[6])2(N[6]C[6]2)(Cl)2{2|C<4>,3|H<1>,6|C<3>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(CC[6a]HH){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	125.4280	0.000	1	125.4280	0.000	1	125.4280	0.000	1	125.4280	0.000	1	120.6310	46.022	2	119.6050	13.856	6
856	338	762	6:SP2_SP2_SPD5	N[6,6]	Ga[3x6]	C[6]	5:3:4:	3:3:2:2:1:	3:3:1:	Ga[3x6]-5:C[6]-3:C[6]-4:	N[6,6]-3:N[6,6]-3:O[6]-2:O[6]-2:Cl-1:	C[6,6a]-3:N[6,6]-3:H-1:	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6,6a]H)(C[6]C[6]HH)	Ga[3x6](N[6,6]C[6]2)2(O[6]C[6,6a])2(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]Ga[3x6]C[6])(H)	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6,6a]H)(C[6]C[6]HH){3|C<4>,4|C<3>}	Ga[3x6](N[6,6]C[6]2)2(O[6]C[6,6a])2(Cl){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]Ga[3x6]C[6])(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	123.2820	2.654	2	123.2820	7.046	2	123.2820	7.046	2	123.2820	7.046	2	122.7755	6.081	4	123.5741	2.363	12
856	338	762	6:SP2_SP2_SPD5	N[6,6]	Ga[3x6]	C[6]	5:4:3:	3:3:2:2:1:	3:3:4:	Ga[3x6]-5:C[6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:O[6]-2:O[6]-2:Cl-1:	N[6,6]-3:C[6]-3:C-4:	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C)	Ga[3x6](N[6,6]C[6]2)2(O[6]C[6])2(Cl)	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]H)(CH3)	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	Ga[3x6](N[6,6]C[6]2)2(O[6]C[6])2(Cl){2|C<3>,4|H<1>,5|C<4>}	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	122.2690	3.189	2	122.2690	10.170	2	122.2690	10.170	2	122.2690	10.170	2	122.7755	6.081	4	123.5741	2.363	12
856	338	762	6:SP2_SP2_SPD5	N[6,6]	Ga[6]	C[6,6]	5:3:3:	3:3:3:1:1:	3:4:3:	Ga[6]-5:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:N[6]-3:Cl-1:Cl-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](Ga[6]N[6,6]N[6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	Ga[6](N[6,6]C[6,6]C[6])2(N[6]C[6]2)(Cl)2	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	N[6,6](Ga[6]N[6,6]N[6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,5|C<3>}	Ga[6](N[6,6]C[6,6]C[6])2(N[6]C[6]2)(Cl)2{2|C<4>,3|H<1>,6|C<3>}	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	123.5545	0.360	2	123.5545	0.130	2	123.5545	0.130	2	123.5545	0.130	2	123.5545	0.130	2	123.5741	2.363	12
856	338	762	6:SP2_SP2_SPD5	N[6]	Ga[6,6]	C[6]	5:3:4:	2:2:3:3:1:	3:3:1:	Ga[6,6]-5:C[6]-3:C-4:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:Cl-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6,6a]H)(CC[6a]CH)	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]C)2(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H)	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6,6a]H)(CC[6a]CH){1|C<4>,4|C<3>}	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]C)2(Cl){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	123.4840	0.091	2	123.4840	0.008	2	123.4840	0.008	2	123.4840	0.008	2	124.1130	0.665	6	123.5741	2.363	12
856	338	762	6:SP2_SP2_SPD5	N[6]	Ga[6,6]	C[6]	5:3:4:	3:2:2:4:3:	3:3:1:	Ga[6,6]-5:C[6]-3:C-4:	N[5]-3:O[6]-2:O[6]-2:N[6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]H)(CCHH)	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H)	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H){1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	125.6890	0.000	1	125.6890	0.000	1	125.6890	0.000	1	125.6890	0.000	1	124.1130	0.665	6	123.5741	2.363	12
856	338	762	6:SP2_SP2_SPD5	N[6]	Ga[6,6]	C[6]	5:3:4:	3:3:2:2:1:	3:3:4:	Ga[6,6]-5:C[6]-3:C-4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:Cl-1:	N[6]-3:C[6]-3:C-4:	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCCH)	Ga[6,6](N[6]C[6]C)2(O[6]C[6])2(Cl)	C[6](N[6]Ga[6,6]C)(C[6]C[6]H)(CH3)	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCCH){1|C<4>,1|H<1>,3|C<3>}	Ga[6,6](N[6]C[6]C)2(O[6]C[6])2(Cl){2|C<3>,4|C<4>}	C[6](N[6]Ga[6,6]C)(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|O<2>}	123.9570	0.000	1	123.9570	0.000	1	124.0070	0.004	3	124.0070	0.004	3	124.1130	0.665	6	123.5741	2.363	12
856	338	762	6:SP2_SP2_SPD5	N[6]	Ga[6,6]	C[6]	5:3:4:	3:3:2:2:1:	3:3:4:	Ga[6,6]-5:C[6]-3:C-4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:Cl-1:	N[6]-3:C[6]-3:C-4:	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCHH)	Ga[6,6](N[6]C[6]C)2(O[6]C[6])2(Cl)	C[6](N[6]Ga[6,6]C)(C[6]C[6]H)(CH3)	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,3|C<3>}	Ga[6,6](N[6]C[6]C)2(O[6]C[6])2(Cl){2|C<3>,4|C<4>}	C[6](N[6]Ga[6,6]C)(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|O<2>}	124.0320	0.068	2	124.0320	0.005	2	124.0070	0.004	3	124.0070	0.004	3	124.1130	0.665	6	123.5741	2.363	12
856	362	762	0:SP2_SP2_SPD6	N[6]	C[5x3,5x5,20x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(N[6]C[6]2)	C[6](N[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	N[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2{1|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(N[6]C[6]2){1|B<6>,2|C<3>,7|H<1>}	C[6](N[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,5|B<6>}	120.3400	0.629	4	120.3400	0.395	4	120.3400	0.395	4	120.3400	0.395	4	120.3400	0.395	4	120.3400	0.395	4
856	394	490	0:SP2_SP3_SPD5	N[6,6]	P[5,6,6]	C	5:4:4:	3:2:2:3:3:	3:4:1:1:	P[5,6,6]-5:P[6,6]-4:C-4:	N[6,6]-3:O[5]-2:O[5]-2:N[6]-3:N[6]-3:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](P[5,6,6]N[6]2O[5]2)(P[6,6]N[6]2O)(CCHH)	P[5,6,6](N[6,6]P[6,6]C)(O[5]C[5,6a])2(N[6]P[6]C)2	C(N[6,6]P[5,6,6]P[6,6])(CH3)(H)2	N[6,6](P[5,6,6]N[6]2O[5]2)(P[6,6]N[6]2O)(CCHH){2|C<3>,2|P<3>,4|C<4>}	P[5,6,6](N[6,6]P[6,6]C)(O[5]C[5,6a])2(N[6]P[6]C)2{1|O<1>,2|C<3>,2|N<3>,2|O<2>}	C(N[6,6]P[5,6,6]P[6,6])(CH3)(H)2	121.3230	0.000	1	121.3230	0.000	1	121.3230	0.000	1	121.3230	0.000	1	121.3230	0.000	1	123.4205	8.799	2
856	394	490	0:SP2_SP3_SPD5	N[6]	P[5,6,6]	C	5:3:4:	3:2:2:3:3:	3:4:1:1:	P[5,6,6]-5:P[6]-3:C-4:	N[6,6]-3:O[5]-2:O[5]-2:N[6]-3:N[6]-3:	N[6]-3:C-4:H-1:H-1:	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH)	P[5,6,6](N[6,6]P[6,6]C)(O[5]C[5,6a])2(N[6]P[6]C)2	C(N[6]P[5,6,6]P[6])(CH3)(H)2	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH){1|P<3>,1|P<4>,2|C<3>,3|C<4>}	P[5,6,6](N[6,6]P[6,6]C)(O[5]C[5,6a])2(N[6]P[6]C)2{1|O<1>,2|C<3>,2|N<3>,2|O<2>}	C(N[6]P[5,6,6]P[6])(CH3)(H)2	125.5180	0.000	1	125.5180	0.000	1	125.5180	0.000	1	125.5180	0.000	1	125.5180	0.000	1	123.4205	8.799	2
856	394	490	0:SP3_SP3_SPD5	N[6]	P[5,6,6]	C	5:3:4:	3:2:2:3:3:	3:4:1:1:	P[5,6,6]-5:P[6]-3:C-4:	N[6,6]-3:O[5]-2:O[5]-2:N[6]-3:N[6]-3:	N[6]-3:C-4:H-1:H-1:	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH)	P[5,6,6](N[6,6]P[6,6]C)(O[5]C[5,6a])2(N[6]P[6]C)2	C(N[6]P[5,6,6]P[6])(CH3)(H)2	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH){1|P<3>,1|P<4>,2|C<3>,3|C<4>}	P[5,6,6](N[6,6]P[6,6]C)(O[5]C[5,6a])2(N[6]P[6]C)2{1|O<1>,2|C<3>,2|N<3>,2|O<2>}	C(N[6]P[5,6,6]P[6])(CH3)(H)2	117.1060	0.000	1	117.1060	0.000	1	117.1060	0.000	1	117.1060	0.000	1	117.1060	0.000	1	117.1060	0.000	1
856	394	849	6:SP2_SP3_SPD5	N[6,6]	P[5,6,6]	P[6,6]	5:4:4:	3:2:2:3:3:	3:3:3:1:	P[5,6,6]-5:P[6,6]-4:C-4:	N[6,6]-3:O[5]-2:O[5]-2:N[6]-3:N[6]-3:	N[6,6]-3:N[6]-3:N[6]-3:O-1:	N[6,6](P[5,6,6]N[6]2O[5]2)(P[6,6]N[6]2O)(CCHH)	P[5,6,6](N[6,6]P[6,6]C)(O[5]C[5,6a])2(N[6]P[6]C)2	P[6,6](N[6,6]P[5,6,6]C)(N[6]P[6]C)2(O)	N[6,6](P[5,6,6]N[6]2O[5]2)(P[6,6]N[6]2O)(CCHH){2|C<3>,2|P<3>,4|C<4>}	P[5,6,6](N[6,6]P[6,6]C)(O[5]C[5,6a])2(N[6]P[6]C)2{1|O<1>,2|C<3>,2|N<3>,2|O<2>}	P[6,6](N[6,6]P[5,6,6]C)(N[6]P[6]C)2(O){2|N<3>,4|O<2>}	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1
856	430	762	0:SP2_SP-NON_SP2	N[6]	Se	C[6]	3:3:1:	3:	3:3:3:	C[6]-3:C[6]-3:Se-1:	N[6]-3:	N[6]-3:C[6]-3:C-3:	N[6](C[6]C[6]C)2(Se)	Se(N[6]C[6]2)	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N)	N[6](C[6]C[6]C)2(Se){1|C<3>,2|H<1>}	Se(N[6]C[6]2)	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	118.9990	0.075	2	118.9990	0.006	2	118.9990	0.006	2	118.9990	0.006	2	118.9990	0.006	2	118.9990	0.006	2
856	442	762	0:SP2_SP2_SPD5	N[6]	B[3,3,5,3x6]	C[6]	5:3:3:	6:6:5:3:1:	3:3:1:	B[3,3,5,3x6]-5:C[6]-3:C[6]-3:	B[5x3,5,5,6]-6:B[4x3,5,5,4x6]-6:B[3x3,5,5,4x6]-5:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6]C[6]C)(C[6]C[6]H)	B[3,3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[3x3,5,5,4x6]B[5x3,5,5,6]2S[3,3,5,3x6]H)(N[6]C[6]2)(H)	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<2>,1|S<4>,3|B<6>,5|H<1>}	B[3,3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[3x3,5,5,4x6]B[5x3,5,5,6]2S[3,3,5,3x6]H)(N[6]C[6]2)(H){1|Rh<5>,1|B<6>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<4>,2|B<6>,2|H<1>}	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	120.4545	2.502	4	120.7857	1.078	20
856	442	762	0:SP2_SP2_SPD5	N[6]	B[3,3,5,3x6]	C[6]	5:3:3:	6:6:5:3:1:	3:3:4:	B[3,3,5,3x6]-5:C[6]-3:C[6]-3:	B[5x3,5,5,6]-6:B[4x3,5,5,4x6]-6:B[3x3,5,5,4x6]-5:N[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6]C[6]C)(C[6]C[6]H)	B[3,3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[3x3,5,5,4x6]B[5x3,5,5,6]2S[3,3,5,3x6]H)(N[6]C[6]2)(H)	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(CH3)	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<2>,1|S<4>,3|B<6>,5|H<1>}	B[3,3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[3x3,5,5,4x6]B[5x3,5,5,6]2S[3,3,5,3x6]H)(N[6]C[6]2)(H){1|Rh<5>,1|B<6>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(CH3){1|B<5>,1|C<3>,2|B<6>,3|H<1>}	121.1800	0.000	1	121.1800	0.000	1	121.1800	0.000	1	121.1800	0.000	1	120.4545	2.502	4	120.7857	1.078	20
856	442	762	0:SP2_SP2_SPD5	N[6]	B[3,3,5,3x6]	C[6]	5:3:3:	6:6:6:3:1:	3:3:1:	B[3,3,5,3x6]-5:C[6]-3:C[6]-3:	B[4x3,5,5,4x6]-6:B[4x3,5,5,4x6]-6:B[5x3,5,5,6]-6:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(C[6]C[6]H)2	B[3,3,5,3x6](B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H[3]H)2(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(N[6]C[6]2)(H)	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(C[6]C[6]H)2{1|C<3>,2|H<2>,4|B<6>,5|H<1>}	B[3,3,5,3x6](B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H[3]H)2(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(N[6]C[6]2)(H){1|B<5>,2|C<3>,8|H<1>}	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H){1|C<3>,3|B<6>,3|H<1>}	120.6230	2.407	2	120.6230	5.794	2	120.6230	5.794	2	120.6230	5.794	2	120.4545	2.502	4	120.7857	1.078	20
856	442	762	0:SP2_SP2_SPD5	N[6]	B[3,3,5,4x6]	C[6]	5:3:3:	6:6:6:3:1:	3:3:1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H)	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(N[6]C[6]2)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<2>,4|B<6>,5|H<1>}	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(N[6]C[6]2)(H){1|B<5>,1|B<6>,1|C<2>,2|C<3>,5|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|H<1>,3|B<6>}	121.4725	0.662	4	121.4725	0.438	4	121.4725	0.438	4	121.4725	0.438	4	121.0004	0.549	8	120.7857	1.078	20
856	442	762	0:SP2_SP2_SPD5	N[6]	B[3,3,5,4x6]	C[6]	5:3:3:	6:6:6:3:1:	3:3:2:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:N[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H)	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(N[6]C[6]2)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CC)	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<2>,4|B<6>,5|H<1>}	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(N[6]C[6]2)(H){1|B<5>,1|B<6>,1|C<2>,2|C<3>,5|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CC){1|C<3>,3|B<6>,3|H<1>}	120.9220	0.245	2	120.9220	0.060	2	120.5282	0.249	4	120.5282	0.249	4	121.0004	0.549	8	120.7857	1.078	20
856	442	762	0:SP2_SP2_SPD5	N[6]	B[3,3,5,4x6]	C[6]	5:3:3:	6:6:6:3:1:	3:3:2:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:N[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H)	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(N[6]C[6]2)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CN)	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<2>,4|B<6>,5|H<1>}	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(N[6]C[6]2)(H){1|B<5>,1|B<6>,1|C<2>,2|C<3>,5|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CN){1|C<3>,3|B<6>,3|H<1>}	120.1345	0.258	2	120.1345	0.067	2	120.5282	0.249	4	120.5282	0.249	4	121.0004	0.549	8	120.7857	1.078	20
856	442	762	0:SP2_SP2_SPD5	N[6]	B[3x3,5,5,6,6]	C[6]	5:3:3:	7:6:6:5:3:	3:3:1:	B[3x3,5,5,6,6]-5:C[6]-3:C[6]-3:	B[6x3,3x5,6x6]-7:B[5x3,5,5]-6:B[5x3,5,6]-6:B[3x3,5,6]-5:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](B[3x3,5,5,6,6]B[6x3,3x5,6x6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6])(C[6]C[6]H)2	B[3x3,5,5,6,6](B[6x3,3x5,6x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]B[6x3,3x5,8x6]B[5x3,5,5]B[5x3,5,6]H[3])(B[5x3,5,5]B[4x3,3x5,6,6]B[6x3,3x5,6x6]B[5x3,5,6]2H)(B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]2B[5x3,5,5]H)(B[3x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(N[6]C[6]2)	C[6](N[6]B[3x3,5,5,6,6]C[6])(C[6]C[6]H)(H)	N[6](B[3x3,5,5,6,6]B[6x3,3x5,6x6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6])(C[6]C[6]H)2{1|B<5>,1|B<7>,1|C<3>,2|H<2>,4|B<6>,5|H<1>}	B[3x3,5,5,6,6](B[6x3,3x5,6x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]B[6x3,3x5,8x6]B[5x3,5,5]B[5x3,5,6]H[3])(B[5x3,5,5]B[4x3,3x5,6,6]B[6x3,3x5,6x6]B[5x3,5,6]2H)(B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]2B[5x3,5,5]H)(B[3x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(N[6]C[6]2){1|B<5>,1|H<2>,2|C<3>,4|B<6>,7|H<1>}	C[6](N[6]B[3x3,5,5,6,6]C[6])(C[6]C[6]H)(H){1|B<5>,1|B<7>,1|C<3>,2|B<6>,2|H<1>}	120.5175	2.153	2	120.5175	4.636	2	120.5175	4.636	2	120.5175	4.636	2	120.5175	4.636	2	120.7857	1.078	20
856	442	762	0:SP2_SP2_SPD5	N[6]	B[3x3,5,5,7x6]	C[6]	5:3:3:	6:6:5:5:3:	3:3:1:	B[3x3,5,5,7x6]-5:C[6]-3:C[6]-3:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:C[3x3,5,5,7x6]-5:B[3,3,5,4x6]-5:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]B[3,3,5,4x6])(C[6]C[6]H)2	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2C[3x3,5,5,7x6]H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(C[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(B[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]N[6]Ni)(N[6]C[6]2)	C[6](N[6]B[3x3,5,5,7x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]B[3,3,5,4x6])(C[6]C[6]H)2{1|Ni<9>,1|C<3>,1|C<5>,1|N<3>,3|B<6>,5|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2C[3x3,5,5,7x6]H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(C[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(B[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]N[6]Ni)(N[6]C[6]2){1|B<6>,4|C<3>,6|H<1>}	C[6](N[6]B[3x3,5,5,7x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	120.8295	0.152	2	120.8295	0.023	2	120.8295	0.023	2	120.8295	0.023	2	120.8295	0.023	2	120.7857	1.078	20
856	442	762	0:SP2_SP2_SPD5	N[6]	B[4x3,4x5,4x6]	C[6]	5:3:3:	6:6:6:6:3:	3:3:1:	B[4x3,4x5,4x6]-5:C[6]-3:C[6]-3:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6]C[6]H)2	B[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)4(N[6]C[6]2)	C[6](N[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6]C[6]H)2{1|C<3>,4|B<6>,6|H<1>}	B[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)4(N[6]C[6]2){1|C<5>,2|C<3>,6|H<1>}	C[6](N[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,4|B<6>}	120.7995	1.084	4	120.7995	1.175	4	120.7995	1.175	4	120.7995	1.175	4	120.7995	1.175	4	120.7857	1.078	20
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:4:1:	3:3:4:1:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:C-4:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.1430	0.000	1	115.1430	0.000	1	115.1430	0.000	1	115.1430	0.000	1	115.7443	0.931	7	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	116.7730	0.000	1	116.7730	0.000	1	115.7178	1.170	5	115.7178	1.170	5	115.7443	0.931	7	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	116.1220	1.226	2	116.1220	1.503	2	115.7178	1.170	5	115.7178	1.170	5	115.7443	0.931	7	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	114.7860	0.000	2	114.7860	0.000	2	115.7178	1.170	5	115.7178	1.170	5	115.7443	0.931	7	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6,6]-4:C[6]-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(CH3)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	116.4780	0.000	1	116.4780	0.000	1	116.4780	0.000	1	116.4780	0.000	1	115.7443	0.931	7	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)2{2|C<4>,4|N<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	112.7140	0.096	2	112.7140	0.009	2	112.7140	0.009	2	112.7140	0.009	2	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	B[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,2|P<3>,4|H<1>}	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	114.7060	0.000	1	111.7602	2.667	6	111.7602	2.667	6	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	B[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,2|P<4>,4|H<1>}	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	111.1710	0.855	5	111.7602	2.667	6	111.7602	2.667	6	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	114.4240	0.000	1	114.4240	0.000	1	113.8593	1.832	4	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)2{1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	112.4870	0.000	1	113.6710	2.535	3	113.8593	1.832	4	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)2{2|B<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	114.2630	1.723	2	113.6710	2.535	3	113.8593	1.832	4	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[4,6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[4,6,6]N[4,6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[4,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[4,6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[4,6,6]N[4,6]2)(C[6]C[6]HH)2{1|S<2>,2|C<4>,4|H<1>}	C[6](N[6,6]C[4,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[4,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	122.1750	0.000	1	122.1750	0.000	1	122.1750	0.000	1	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2{2|B<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	116.8852	0.535	6	116.8852	0.286	6	116.8852	0.286	6	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[5,6]-4:H-1:H-1:	N[6,6]-3:C[5,6]-4:H-1:H-1:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)2{2|C<3>,2|H<1>,4|C<4>}	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	113.5590	0.000	1	113.5590	0.000	1	113.5590	0.000	1	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	113.8050	0.000	1	113.8050	0.000	1	115.2251	1.617	45	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	115.5137	0.957	39	115.2574	1.607	44	115.2251	1.617	45	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	113.2582	1.714	5	115.2574	1.607	44	115.2251	1.617	45	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Mo<5>,6|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,2|N<3>,4|H<1>}	116.3880	0.648	2	116.3880	0.420	2	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Al<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	115.7575	2.301	4	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|B<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	121.9360	0.000	1	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	113.4780	0.228	3	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	114.5332	1.181	5	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<2>,1|Si<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	112.9120	0.000	1	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<2>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	116.3250	0.000	1	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	113.7810	0.000	1	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	112.7565	0.436	2	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<4>,1|Si<5>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	112.6070	0.390	2	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	115.8750	0.120	2	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Fe<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	113.1260	0.150	2	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Ir<6>,1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	111.4620	0.000	1	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Li<4>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	115.5565	0.377	2	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Mo<6>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	115.1180	0.000	1	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Pd<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	114.8747	1.023	3	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Pd<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	112.3175	0.584	4	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Re<6>,1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	112.6838	1.298	4	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Ru<6>,1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	113.7997	2.224	3	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Ru<7>,1|Si<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	113.6383	0.238	12	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Ru<8>,1|Si<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	113.3280	0.610	3	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Ru<9>,1|Si<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	113.9590	0.624	4	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Si<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	116.3520	0.000	1	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|W<6>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	114.8070	0.231	3	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Zn<4>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	116.6750	0.000	1	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	117.3550	0.000	1	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	116.0583	0.377	8	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	116.0585	2.063	2	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Pd<5>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	113.5335	0.376	4	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Ru<5>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	113.5981	0.759	10	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Zn<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	112.9120	0.764	2	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	114.8152	1.462	5	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	115.7900	5.004	3	114.3147	3.248	101	114.3550	3.271	103	114.6189	3.571	166	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[5a]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){1|S<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	116.3700	0.645	2	116.3700	0.416	2	116.3700	0.416	2	114.9890	2.849	4	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	113.1070	0.000	1	113.1070	0.000	1	113.6080	0.502	2	114.9890	2.849	4	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	114.1090	0.000	1	114.1090	0.000	1	113.6080	0.502	2	114.9890	2.849	4	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[5a]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	115.0200	0.000	1	115.0200	0.000	1	115.0200	0.000	1	115.0200	0.000	1	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2Sm)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2Sm)(C[6]C[6]HH)2{2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Sm<14>,1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Sm<14>,1|C<4>,2|N<3>,4|H<1>}	118.9070	0.000	1	118.9070	0.000	1	117.4701	1.203	7	117.4701	1.203	7	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2Ta)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2Ta)(C[6]C[6]HH)2{2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Ta<7>,1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Ta<7>,1|C<4>,2|N<3>,4|H<1>}	118.9660	0.000	1	118.9660	0.000	1	117.4701	1.203	7	117.4701	1.203	7	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2{2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<14>,1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<14>,1|C<4>,2|N<3>,4|H<1>}	116.8735	0.631	4	116.8836	0.299	5	117.4701	1.203	7	117.4701	1.203	7	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2{2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<15>,1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<15>,1|C<4>,2|N<3>,4|H<1>}	116.9240	0.000	1	116.8836	0.299	5	117.4701	1.203	7	117.4701	1.203	7	114.7411	3.799	181	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(C[6]C[6,6a]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(N[6]C[6]2)(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(N[6]C[6,6]C[6])(H)2	N[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(C[6]C[6,6a]O){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(N[6]C[6]2)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6,6a]C[6]H)(N[6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	121.4850	0.000	1	121.4850	0.000	1	121.4850	0.000	1	121.4850	0.000	1	121.3244	1.123	5	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:2:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:N[6]-2:	N[6]-3:C[6]-4:C[6]-4:H-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6])	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){1|Ta<12>,1|N<3>,5|C<4>,8|H<1>}	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]){1|Ta<12>,1|C<5>,4|C<4>,6|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|N<2>,4|C<4>,5|H<1>}	120.8805	0.121	2	121.6087	1.598	3	121.6087	1.598	3	121.6087	1.598	3	121.3244	1.123	5	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:2:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:N[6]-2:	N[6]-3:C[6]-4:C[6]-4:H-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6])	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	123.0650	0.000	1	121.6087	1.598	3	121.6087	1.598	3	121.6087	1.598	3	121.3244	1.123	5	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:3:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:N[6]-3:	N[6]-3:C[6]-4:C[6]-4:H-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,9|H<1>}	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	120.3110	0.000	1	120.3110	0.000	1	120.3110	0.000	1	120.3110	0.000	1	121.3244	1.123	5	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:4:3:1:	3:3:4:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]N[6]CH)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]N[6]CH){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	119.9970	0.000	1	119.9970	0.000	1	119.9970	0.000	1	119.9970	0.000	1	118.1308	5.206	5	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]N[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	118.1308	5.206	5	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	118.2870	0.000	1	118.2870	0.000	1	118.2870	0.000	1	118.2870	0.000	1	118.1308	5.206	5	115.0284	4.973	198
856	466	466	0:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,3|C<4>,7|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,4|H<1>}	116.1085	2.246	2	116.1085	5.047	2	116.1085	5.047	2	116.1085	5.047	2	118.1308	5.206	5	115.0284	4.973	198
856	466	466	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[4x6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:C[6]-4:H-1:H-1:	N[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	N[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2{1|C<3>,5|C<4>,6|H<1>}	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	113.2980	0.000	2	113.2980	0.000	2	113.2980	0.000	2	113.2980	0.000	2	113.2980	0.000	2	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[3x6]	C[6]	C[6,6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[4x6]-4:C[6,6]-4:C[6]-4:	N[3x6]-3:C[6]-4:H-1:H-1:	N[3x6]-3:C[3x6]-4:H-1:H-1:	N[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[5,6]HH)(H)2	C[6,6](N[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2	N[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](N[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	113.2310	0.000	1	113.2310	0.000	1	113.2310	0.000	1	113.2310	0.000	1	113.2310	0.000	1	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:1:	3:2:1:1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:O[6]-2:H-1:H-1:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)	C[6,6](N[6,6]C[6,6,6a]C[6])(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6,6a]C[6,6])(O[6]C[6,6a])(H)2	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[6,6,6a]C[6])(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6,6a]C[6,6])(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,3|C<3>}	115.1865	0.291	2	115.1865	0.084	2	115.1865	0.084	2	115.1865	0.084	2	114.4056	8.332	17	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H)	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	117.1980	0.000	1	117.1980	0.000	1	116.2152	5.825	8	116.2152	5.825	8	114.4056	8.332	17	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H)	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H){2|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.2160	0.000	1	119.2160	0.000	1	116.2152	5.825	8	116.2152	5.825	8	114.4056	8.332	17	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H)	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H){1|N<3>,2|C<4>,4|C<3>,7|H<1>}	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2{2|H<1>,2|N<3>,3|C<3>}	115.5513	2.373	6	115.5513	5.632	6	116.2152	5.825	8	116.2152	5.825	8	114.4056	8.332	17	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[3x6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH){6|C<4>,6|H<1>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	115.2560	0.000	1	115.2560	0.000	1	115.2560	0.000	1	112.2725	5.446	6	114.4056	8.332	17	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	N[6,6]-3:N[3x6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH){5|C<4>,7|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	111.5205	0.885	2	111.5205	0.783	2	111.5205	0.783	2	112.2725	5.446	6	114.4056	8.332	17	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)2(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6,6]C[6]H)2(C[6]C[6]HH){5|C<4>,6|H<1>}	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	111.7793	2.800	3	111.7793	7.842	3	111.7793	7.842	3	112.2725	5.446	6	114.4056	8.332	17	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]2)(H)2	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH){1|Si<4>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	111.1650	0.000	1	111.1650	0.000	1	111.1650	0.000	1	111.1650	0.000	1	114.4056	8.332	17	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	3:3:4:1:	3:3:3:1:	C[6]-4:C[6,6]-4:P[6,6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	N[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6])(H)	N[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	120.0180	0.000	1	120.0180	0.000	1	120.0180	0.000	1	120.0180	0.000	1	120.0180	0.000	1	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:2:1:1:	N[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6]-3:O[6]-2:H-1:H-1:	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)2	C[6](N[6,6]N[6,6]C[6])(O[6]C[6])(H)2	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,2|C<3>,4|H<1>}	115.9390	0.000	1	115.9390	0.000	1	115.9390	0.000	1	115.9390	0.000	1	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	112.9090	0.000	1	112.9090	0.000	1	112.9090	0.000	1	112.9090	0.000	1	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:2:1:1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:O[6]-2:H-1:H-1:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(H)2	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,3|C<3>}	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	114.3023	0.523	3	114.3023	0.273	3	114.3023	0.273	3	115.0248	1.390	15	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	115.6684	0.488	5	115.6684	0.238	5	115.6684	0.238	5	115.0248	1.390	15	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|H<1>,6|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	116.1180	0.000	1	115.8050	0.117	3	114.8747	2.362	7	115.0248	1.390	15	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Mo<5>,6|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,2|N<3>,4|H<1>}	115.6485	0.296	2	115.8050	0.117	3	114.8747	2.362	7	115.0248	1.390	15	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	112.6470	0.147	2	114.1770	3.130	4	114.8747	2.362	7	115.0248	1.390	15	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Ru<5>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	115.7070	0.075	2	114.1770	3.130	4	114.8747	2.362	7	115.0248	1.390	15	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]O[6]C)(H)2	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH){1|O<2>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]O[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	113.0150	0.000	1	113.0150	0.000	1	113.0150	0.000	1	113.7166	1.883	17	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{1|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	114.1330	0.153	2	114.0483	0.033	3	113.7604	1.974	16	113.7166	1.883	17	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{5|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	113.8790	0.000	1	114.0483	0.033	3	113.7604	1.974	16	113.7166	1.883	17	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{4|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	112.6763	0.225	6	112.5979	0.085	7	113.7604	1.974	16	113.7166	1.883	17	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{5|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|N<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|N<4>,6|H<1>}	112.1270	0.000	1	112.5979	0.085	7	113.7604	1.974	16	113.7166	1.883	17	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{2|C<3>,2|N<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{2|C<3>,2|N<3>,6|H<1>}	113.1455	0.121	2	113.1455	0.015	2	113.7604	1.974	16	113.7166	1.883	17	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Cu<4>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	115.7780	0.168	2	115.8865	0.154	4	113.7604	1.974	16	113.7166	1.883	17	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Mo<9>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	116.4350	0.000	1	115.8865	0.154	4	113.7604	1.974	16	113.7166	1.883	17	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Pt<4>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	115.5550	0.000	1	115.8865	0.154	4	113.7604	1.974	16	113.7166	1.883	17	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	110.0073	5.128	20	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	111.0530	0.000	1	111.0530	0.000	1	111.0530	0.000	1	110.0073	5.128	20	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	109.9470	0.000	1	110.0220	1.229	3	110.6622	4.916	14	110.0073	5.128	20	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	110.0595	1.565	2	110.0220	1.229	3	110.6622	4.916	14	110.0073	5.128	20	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	109.3920	0.000	1	109.5289	0.725	8	110.6622	4.916	14	110.0073	5.128	20	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	109.0235	0.792	4	109.5289	0.725	8	110.6622	4.916	14	110.0073	5.128	20	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	110.2483	0.548	3	109.5289	0.725	8	110.6622	4.916	14	110.0073	5.128	20	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|S<2>,3|C<3>,3|H<1>}	114.3247	1.521	3	114.3247	2.312	3	110.6622	4.916	14	110.0073	5.128	20	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6,6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>,4|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	108.0000	0.000	1	108.0000	0.000	1	108.0000	0.000	1	110.0073	5.128	20	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	106.7610	0.000	1	106.7610	0.000	1	107.3023	0.220	3	110.0073	5.128	20	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	107.5730	0.018	2	107.5730	0.000	2	107.3023	0.220	3	110.0073	5.128	20	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	113.2645	0.013	2	113.2645	0.000	2	113.2645	0.000	2	112.9866	0.684	5	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.3275	1.063	2	112.3275	1.130	2	112.8013	1.238	3	112.9866	0.684	5	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.7490	0.000	1	113.7490	0.000	1	112.8013	1.238	3	112.9866	0.684	5	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:4:4:1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.0580	0.472	2	115.0580	0.223	2	115.0580	0.223	2	115.0580	0.223	2	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	111.7360	0.000	1	111.7360	0.000	1	111.7360	0.000	1	112.0795	0.236	2	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	112.4230	0.000	1	112.4230	0.000	1	112.4230	0.000	1	112.0795	0.236	2	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[6]-4:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){1|C<3>,2|H<1>,3|C<4>}	112.5190	0.102	2	112.5190	0.010	2	112.5190	0.010	2	112.5190	0.010	2	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:3:4:1:	4:3:2:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6]-4:N[6,6]-3:O-2:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H){2|C<3>,4|C<4>,4|H<1>}	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:2:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:O[6]-2:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,1|S<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{1|N<3>,1|O<2>,2|O<1>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,1|N<3>,6|H<1>}	115.1210	0.000	1	115.1210	0.000	1	115.1210	0.000	1	115.1210	0.000	1	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2	N[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	111.9030	0.000	1	111.9030	0.000	1	110.5202	1.377	6	111.6504	5.464	14	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,5,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2	N[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,5,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	111.9510	0.000	1	111.9510	0.000	1	110.5202	1.377	6	111.6504	5.464	14	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]O)(H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	109.3955	0.357	2	109.3955	0.128	2	110.5202	1.377	6	111.6504	5.464	14	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	110.4690	0.000	1	110.4690	0.000	1	110.5202	1.377	6	111.6504	5.464	14	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]H)(H)2	N[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	110.0070	0.000	1	110.0070	0.000	1	110.5202	1.377	6	111.6504	5.464	14	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[4,3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[6]C[6]HH)2	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]H)(H)2	N[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[6]C[6]HH)2{1|C<3>,4|C<4>,6|H<1>}	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	109.6670	0.000	1	109.6670	0.000	1	109.6670	0.000	1	111.6504	5.464	14	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[5,6,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2	N[6,6](C[5,6,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)2{1|C<3>,4|C<4>,4|H<1>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	113.9750	0.000	1	113.9750	0.000	1	113.9750	0.000	1	111.6504	5.464	14	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,5|H<1>}	109.7945	0.385	2	111.1025	2.790	4	111.1025	2.790	4	111.6504	5.464	14	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	111.5800	0.000	1	111.1025	2.790	4	111.1025	2.790	4	111.6504	5.464	14	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	113.2410	0.000	1	111.1025	2.790	4	111.1025	2.790	4	111.6504	5.464	14	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|S<4>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|N<3>,2|O<1>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	115.5590	0.000	1	115.5590	0.000	1	115.9660	0.331	2	111.6504	5.464	14	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,2|H<1>,2|S<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|N<3>,2|O<1>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,6|H<1>}	116.3730	0.000	1	116.3730	0.000	1	115.9660	0.331	2	111.6504	5.464	14	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	110.3660	0.000	1	110.3660	0.000	1	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	109.7950	0.000	1	109.8495	0.006	2	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	109.9040	0.000	1	109.8495	0.006	2	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	112.5450	0.000	1	113.2125	0.891	2	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	113.8800	0.000	1	113.2125	0.891	2	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|N<3>,1|N<4>,4|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<4>,2|C<4>,5|H<1>}	107.6930	0.000	1	107.6930	0.000	1	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	107.9740	0.643	4	108.7313	2.764	7	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|C<4>,2|N<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	112.1460	0.000	1	108.7313	2.764	7	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|C<4>,2|N<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	109.3490	0.000	1	108.7313	2.764	7	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|N<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	107.7280	0.000	1	108.7313	2.764	7	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	110.6290	0.000	1	110.6290	0.000	1	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<4>,2|H<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	110.6440	0.000	1	110.6440	0.000	1	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	112.1185	0.378	2	112.1185	0.143	2	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	111.2753	0.405	10	111.3803	0.154	15	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	111.5902	0.293	5	111.3803	0.154	15	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	107.9250	0.000	1	108.2327	0.636	7	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2{1|C<3>,4|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	107.9030	0.000	1	108.2327	0.636	7	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2{4|C<4>,6|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	108.3602	0.940	5	108.2327	0.636	7	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6]HH)(H)2	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	110.5485	2.149	2	110.5485	4.618	2	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	107.8895	0.269	2	107.7798	0.039	5	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2{4|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	107.7067	0.149	3	107.7798	0.039	5	109.9813	3.361	46	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[4x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)2	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)2{1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[5,3x6]N[5,6,6]2H)(C[6]C[6]HH)2	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[5,3x6]N[5,6,6]2H)(C[6]C[6]HH)2{4|H<1>,6|C<4>}	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<4>,5|H<1>}	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<4>,5|H<1>}	111.5285	0.121	2	111.5285	0.015	2	111.5285	0.015	2	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[5,6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.7410	0.000	1	110.7410	0.000	1	110.7410	0.000	1	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<3>,5|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	111.7810	0.000	1	111.7810	0.000	1	110.8351	2.489	9	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	113.0180	0.000	1	110.7169	2.701	8	110.8351	2.489	9	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.7690	0.000	1	110.7169	2.701	8	110.8351	2.489	9	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.3247	1.593	6	110.7169	2.701	8	110.8351	2.489	9	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5,6]2H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	N[6,6](C[6,6]C[5,6]2H)(C[6]C[6]HH)2{1|N<2>,2|C<4>,2|O<2>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	109.3750	0.000	1	109.3750	0.000	1	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.4120	0.000	1	110.4120	0.000	1	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]CC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]CC)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	114.9730	0.000	1	114.9730	0.000	1	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	109.2320	0.000	1	109.7815	0.604	2	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	110.3310	0.000	1	109.7815	0.604	2	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	113.8130	0.000	1	113.8130	0.000	1	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	110.7690	0.000	1	110.7690	0.000	1	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<2>,2|C<4>,2|S<2>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	106.3660	0.000	1	106.3660	0.000	1	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2{1|C<4>,1|N<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	115.5000	0.000	1	115.5000	0.000	1	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{3|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,5|H<1>}	109.7510	1.276	2	109.7510	1.627	2	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	114.7750	1.666	2	114.7750	2.775	2	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	111.8835	1.220	2	111.8835	1.488	2	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{3|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.9930	0.000	1	110.9930	0.000	1	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,1|S<4>,2|O<2>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|O<1>,3|C<4>,3|H<1>}	106.3570	0.000	1	106.3570	0.000	1	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	111.9590	1.045	2	111.9590	1.092	2	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6a]C[6]N[6])(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	N[6,6](C[6,6]C[6a]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.7860	0.000	1	112.7860	0.000	1	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2Ce)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2Ce)(C[6]C[6]HH)2{2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Ce<13>,1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Ce<13>,1|C<4>,2|N<3>,4|H<1>}	116.9780	0.000	1	116.9780	0.000	1	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2Mn)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2Mn)(C[6]C[6]HH)2{1|Mn<9>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Mn<9>,1|C<4>,1|N<3>,1|N<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Mn<9>,1|C<4>,1|N<3>,1|N<4>,4|H<1>}	116.5770	0.000	1	116.5770	0.000	1	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2{2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<14>,1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<14>,1|C<4>,2|N<3>,4|H<1>}	116.7395	1.132	2	116.7917	0.649	3	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2{2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<15>,1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<15>,1|C<4>,2|N<3>,4|H<1>}	116.8960	0.000	1	116.7917	0.649	3	112.4630	10.585	25	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-4:H-1:H-1:	N[6,6]-3:N[6]-4:H-1:H-1:	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]NiC)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]NiC)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Ni<4>,1|Ru<8>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]NiC)(H)2{1|N<4>,1|P<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]NiC)(H)2{1|N<4>,1|P<4>,6|H<1>}	115.8800	0.000	1	115.8800	0.000	1	116.1250	0.368	3	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-4:H-1:H-1:	N[6,6]-3:N[6]-4:H-1:H-1:	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Ru<8>,1|Zn<4>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2{1|N<4>,1|P<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2{1|N<4>,1|P<4>,6|H<1>}	116.8160	0.000	1	116.2475	0.646	2	116.1250	0.368	3	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-4:H-1:H-1:	N[6,6]-3:N[6]-4:H-1:H-1:	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Ru<8>,1|Zn<6>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2{1|N<4>,1|P<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2{1|N<4>,1|P<4>,6|H<1>}	115.6790	0.000	1	116.2475	0.646	2	116.1250	0.368	3	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-4:H-1:H-1:	N[6,6]-3:P[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]RhC)(H)2	C[6](N[6,6]C[6,6]C[6])(P[6]C[6]RhC)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH){1|Rh<4>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]RhC)(H)2{1|N<3>,1|P<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(P[6]C[6]RhC)(H)2{1|N<3>,1|N<4>,6|H<1>}	115.7575	0.196	2	115.7575	0.038	2	115.7575	0.038	2	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:P[6]-4:H-1:H-1:	N[6,6]-3:P[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2{1|Fe<6>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2{1|N<3>,1|P<4>,2|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2{1|N<3>,1|P<4>,2|C<3>,6|H<1>}	114.8005	0.278	2	114.5338	0.291	6	114.5338	0.291	6	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:P[6]-4:H-1:H-1:	N[6,6]-3:P[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2{1|Fe<7>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2{1|N<3>,1|P<4>,2|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2{1|N<3>,1|P<4>,2|C<3>,6|H<1>}	114.4005	0.622	4	114.5338	0.291	6	114.5338	0.291	6	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:Si[6]-4:H-1:H-1:	N[6,6]-3:Si[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2C)(C[6]Si[6]HH)2	C[6](N[6,6]C[6,6]C[6])(Si[6]O[6]CC)(H)2	C[6](N[6,6]C[6,6]C[6])(Si[6]O[6]CC)(H)2	N[6,6](C[6,6]C[6]2C)(C[6]Si[6]HH)2{2|O<2>,4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(Si[6]O[6]CC)(H)2{1|Si<4>,2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(Si[6]O[6]CC)(H)2{1|Si<4>,2|H<1>,3|C<4>}	108.8110	0.000	1	108.8110	0.000	1	108.8110	0.000	1	111.3242	7.648	96	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:4:2:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:C-2:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CC)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CC){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|C<2>,1|N<3>,4|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN){3|C<4>,5|H<1>}	112.2340	0.000	1	112.2340	0.000	1	112.2340	0.000	1	112.2340	0.000	1	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:4:4:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:C-4:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH){1|Cu<6>,2|C<4>,2|N<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|Cu<6>,1|C<5>,1|H<1>,1|N<4>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<5>,1|N<4>,2|C<4>,4|H<1>}	118.9860	0.000	1	118.9860	0.000	1	118.9860	0.000	1	118.9860	0.000	1	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]2H)(C[6]C[6]HH)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,6|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,4|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	109.0200	0.154	2	109.0200	0.024	2	109.0200	0.024	2	109.0200	0.024	2	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	112.1345	0.412	2	112.6172	0.384	4	112.8887	0.854	10	112.8887	0.854	10	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	113.1000	0.222	2	112.6172	0.384	4	112.8887	0.854	10	112.8887	0.854	10	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	111.1880	0.000	1	111.1880	0.000	1	112.8887	0.854	10	112.8887	0.854	10	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	113.9460	0.000	1	113.9460	0.000	1	112.8887	0.854	10	112.8887	0.854	10	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	113.6043	0.510	3	113.6043	0.260	3	112.8887	0.854	10	112.8887	0.854	10	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|O<2>,2|H<1>,5|C<4>}	112.4710	0.000	1	112.4710	0.000	1	112.8887	0.854	10	112.8887	0.854	10	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(C[6]C[6]HH)	C[6](C[3x6]C[3x6]C[6]2)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]C[6]2)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,5|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	109.6270	0.273	2	109.6270	0.074	2	109.6270	0.074	2	109.7256	2.727	27	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{4|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.0340	0.000	1	110.0340	0.000	1	110.3017	5.531	6	109.7256	2.727	27	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.4910	0.000	1	109.4910	0.000	1	110.3017	5.531	6	109.7256	2.727	27	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]C)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	113.1455	0.091	2	113.1455	0.008	2	110.3017	5.531	6	109.7256	2.727	27	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	108.2400	0.000	1	107.9970	0.118	2	110.3017	5.531	6	109.7256	2.727	27	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	107.7540	0.000	1	107.9970	0.118	2	110.3017	5.531	6	109.7256	2.727	27	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.5827	0.278	3	109.9953	0.495	6	109.5541	2.257	19	109.7256	2.727	27	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.4720	0.000	1	109.9953	0.495	6	109.5541	2.257	19	109.7256	2.727	27	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.1800	0.000	1	109.9953	0.495	6	109.5541	2.257	19	109.7256	2.727	27	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,4|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.5720	0.000	1	109.9953	0.495	6	109.5541	2.257	19	109.7256	2.727	27	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	111.9340	0.000	1	111.9340	0.000	1	109.5541	2.257	19	109.7256	2.727	27	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2{5|H<1>,6|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	108.8470	0.477	3	108.8470	0.228	3	109.5541	2.257	19	109.7256	2.727	27	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	109.5040	3.154	2	109.5040	9.946	2	109.5541	2.257	19	109.7256	2.727	27	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	109.3880	1.787	6	109.1531	3.046	7	109.5541	2.257	19	109.7256	2.727	27	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	107.7440	0.000	1	109.1531	3.046	7	109.5541	2.257	19	109.7256	2.727	27	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	110.7810	0.267	3	110.7810	0.071	3	110.8945	0.099	4	110.8945	0.099	4	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5]O)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	111.2350	0.000	1	111.2350	0.000	1	110.8945	0.099	4	110.8945	0.099	4	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:2:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3,6]-4:N[6,6]-3:C-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H){1|N<3>,4|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	107.9330	0.160	2	107.9330	0.026	2	107.9330	0.026	2	107.9330	0.026	2	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	C[6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){2|H<1>,8|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,4|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H){2|N<3>,5|C<4>,9|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	114.1820	0.000	1	114.1820	0.000	1	114.1820	0.000	1	114.1820	0.000	1	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[6,6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H){4|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	110.0940	0.000	1	110.0940	0.000	1	110.0940	0.000	1	110.6242	1.172	5	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	111.7955	0.120	2	111.7955	0.014	2	111.7955	0.014	2	110.6242	1.172	5	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6]-4:C[3x6]-4:C[6]-4:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH){1|O<2>,6|C<4>,6|H<1>}	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|N<3>,4|C<4>,7|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	109.7180	0.081	2	109.7180	0.006	2	109.7180	0.006	2	110.6242	1.172	5	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	5:4:4:	3:3:1:1:	3:3:1:1:	P[6,6]-5:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6](P[6,6]O[6]2OO)(C[6]C[6,6a]HH)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2	N[6,6](P[6,6]O[6]2OO)(C[6]C[6,6a]HH)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2{3|C<3>,3|H<1>,4|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2{3|C<3>,3|H<1>,4|O<2>}	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	111.6408	7.151	233	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:2:4:3:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:O[6]-2:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	114.6420	0.520	2	114.6420	0.271	2	114.6420	0.271	2	114.6420	0.271	2	113.2997	8.233	14	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:2:3:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:O[6]-2:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{2|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2){5|C<4>,9|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	115.0540	1.505	2	115.0540	2.264	2	115.0540	2.264	2	115.0540	2.264	2	113.2997	8.233	14	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[3x6]-4:C[3x6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[3x6]2H)(C[6]C[6]HH)2	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(N[6]C[6]2)(H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[3x6]2H)(C[6]C[6]HH)2{2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(N[6]C[6]2)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,6|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.2705	1.037	2	110.2705	1.076	2	110.2705	1.076	2	109.7258	1.545	4	113.2997	8.233	14	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2{1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H){4|C<4>,6|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	109.1810	1.540	2	109.1810	2.372	2	109.1810	2.372	2	109.7258	1.545	4	113.2997	8.233	14	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:2:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[3x6]-4:C[6,6]-4:N[6]-3:C-2:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[6]C[6]2)(CN)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)2{2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[6]C[6]2)(CN){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	113.1830	1.976	2	113.1830	3.903	2	113.1830	3.903	2	114.6502	5.613	6	113.2997	8.233	14	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:2:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:N[6]-3:O[6]-2:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(O[6]C[6])	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(O[6]C[6]){3|C<3>,3|C<4>,8|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	116.0410	1.984	2	116.0410	3.937	2	115.3838	5.901	4	114.6502	5.613	6	113.2997	8.233	14	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:2:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:N[6]-3:O[6]-2:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]2)(O[6]C[6])	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,3|O<2>,7|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]2)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	114.7265	3.470	2	114.7265	12.039	2	115.3838	5.901	4	114.6502	5.613	6	113.2997	8.233	14	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	2:4:3:4:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	O[6]-2:C[6]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2{1|C<3>,2|C<4>,6|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)(CH3){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|O<2>,3|C<4>,4|H<1>}	113.8600	0.436	2	113.8600	0.190	2	113.8600	0.190	2	113.8600	0.190	2	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	116.3380	0.000	1	116.3380	0.000	1	116.3380	0.000	1	115.9670	3.680	5	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6]N[5,6]HH)2(C[6]C[6]2H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]N[5,6]HH)2(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2{1|C<3>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,2|N<3>,8|H<1>}	115.8743	2.202	4	115.8743	4.849	4	115.8743	4.849	4	115.9670	3.680	5	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]O[6]H)(C[6]C[6]HH)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O[6]H)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	114.6340	0.065	2	114.6340	0.004	2	114.6340	0.004	2	114.6340	0.004	2	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:4:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2C)(C[6]C[6]HH)2	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2C)(C[6]C[6]HH)2{1|C<4>,1|N<2>,1|N<3>,2|O<1>,4|H<1>}	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,4|H<1>}	112.5755	2.553	2	112.4296	5.536	8	112.4296	5.536	8	112.4296	5.536	8	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:4:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2C)(C[6]C[6]HH)2	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2C)(C[6]C[6]HH)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,4|H<1>}	112.3810	2.537	6	112.4296	5.536	8	112.4296	5.536	8	112.4296	5.536	8	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	118.2990	0.706	2	118.2990	0.498	2	117.2348	1.693	4	117.2348	1.693	4	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6]C[6]2)(H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2{2|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	116.1705	0.227	2	116.1705	0.052	2	117.2348	1.693	4	117.2348	1.693	4	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,3|C<4>,7|H<1>}	113.7020	0.000	1	113.7020	0.000	1	113.7020	0.000	1	113.7020	0.000	1	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:2:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2	C[6](C[6,6]C[6]2N[6])(O[6]C[6,6a])(N[6]C[6]2)(H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6]2N[6])(O[6]C[6,6a])(N[6]C[6]2)(H){2|C<3>,4|C<4>,9|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|O<2>,2|C<4>,3|H<1>}	115.4145	2.640	4	115.4145	6.969	4	115.6751	5.659	8	115.6751	5.659	8	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:2:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2	C[6](C[6,6]C[6]2O[6])(O[6]C[6,6a])(N[6]C[6]2)(H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6]2O[6])(O[6]C[6,6a])(N[6]C[6]2)(H){2|C<3>,4|C<4>,8|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|O<2>,2|C<4>,3|H<1>}	115.9357	2.460	4	115.9357	6.054	4	115.6751	5.659	8	115.6751	5.659	8	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:2:3:4:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:O[6]-2:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)(CH3){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|O<2>,3|C<4>,4|H<1>}	113.4685	0.114	2	113.4685	0.013	2	113.4685	0.013	2	113.4685	0.013	2	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(N[6]C[6]2)(H){3|C<4>,6|H<1>}	112.8375	0.228	2	112.8375	0.052	2	112.8375	0.052	2	112.8375	0.052	2	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6,6]HH)2(C[6]C[6]2H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6]HH)2(C[6]C[6]2H){3|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){3|C<4>,8|H<1>}	112.1080	1.980	2	112.1080	3.920	2	112.1080	3.920	2	112.9794	2.407	7	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{2|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){3|C<4>,8|H<1>}	114.5250	1.245	2	114.5250	1.549	2	113.3280	2.099	5	112.9794	2.407	7	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){3|C<4>,8|H<1>}	112.5205	1.439	2	112.5205	2.071	2	113.3280	2.099	5	112.9794	2.407	7	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,3|C<4>,7|H<1>}	112.5490	0.000	1	112.5490	0.000	1	113.3280	2.099	5	112.9794	2.407	7	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	115.6720	2.326	2	115.6720	5.412	2	113.7460	5.508	6	113.7460	5.508	6	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	113.2570	0.779	2	113.2570	0.607	2	113.7460	5.508	6	113.7460	5.508	6	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{2|C<3>,2|O<2>,6|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	112.3090	3.082	2	112.3090	9.496	2	113.7460	5.508	6	113.7460	5.508	6	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:4:3:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]2)(CH3)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H){1|C<3>,3|C<4>,7|H<1>}	115.4230	0.000	1	115.4230	0.000	1	115.4230	0.000	1	115.4230	0.000	1	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	114.6910	0.000	1	114.6910	0.000	1	114.6910	0.000	1	114.9600	7.582	8	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,3|H<1>,6|C<4>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|N<3>,1|N<4>,3|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	115.5670	4.209	2	115.8254	10.071	5	115.8254	10.071	5	114.9600	7.582	8	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,4|H<1>,5|C<4>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|N<3>,1|N<4>,3|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	115.9977	3.343	3	115.8254	10.071	5	115.8254	10.071	5	114.9600	7.582	8	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](N[6]C[6]2)2(H)2	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,3|C<4>,7|H<1>}	C[6](N[6]C[6]2)2(H)2{5|H<1>,6|C<4>}	112.3230	0.000	1	112.3230	0.000	1	112.9310	0.739	2	114.9600	7.582	8	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](N[6]C[6]2)2(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,2|C<4>,8|H<1>}	C[6](N[6]C[6]2)2(H)2{5|H<1>,6|C<4>}	113.5390	0.000	1	113.5390	0.000	1	112.9310	0.739	2	114.9600	7.582	8	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(N[6]C[6]2)(H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)2{2|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(N[6]C[6]2)(H){6|C<4>,8|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{3|C<4>,3|H<1>}	114.8760	4.828	2	114.8760	23.311	2	114.8760	23.311	2	114.4162	7.404	21	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|N<3>,3|C<4>,4|H<1>}	114.5550	0.000	1	114.5550	0.000	1	113.9133	6.345	13	114.4162	7.404	21	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{4|C<4>,7|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,5|H<1>}	113.3863	3.433	4	113.3863	11.785	4	113.9133	6.345	13	114.4162	7.404	21	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{3|C<4>,3|H<1>}	114.6880	2.960	2	114.6880	8.761	2	113.9133	6.345	13	114.4162	7.404	21	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,5|H<1>}	112.9835	1.862	2	112.9835	3.466	2	113.9133	6.345	13	114.4162	7.404	21	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]C[6]HO)(C[6]C[6]HW)(N[6]C[6]2)(H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|W<7>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]HW)(N[6]C[6]2)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{3|C<4>,3|H<1>}	114.3575	2.788	4	114.3575	7.773	4	113.9133	6.345	13	114.4162	7.404	21	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,3|H<1>,6|C<4>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|N<3>,1|N<4>,3|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	115.5770	3.770	2	115.5770	14.215	2	115.3525	7.931	6	114.4162	7.404	21	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,4|H<1>,5|C<4>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|N<3>,1|N<4>,3|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	115.2403	2.903	4	115.2403	8.429	4	115.3525	7.931	6	114.4162	7.404	21	114.3887	6.004	79	112.5071	8.527	347
856	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(CH3)(H){1|N<3>,2|C<4>,5|H<1>}	116.5680	0.000	1	116.5680	0.000	1	116.5680	0.000	1	116.5680	0.000	1	114.3887	6.004	79	112.5071	8.527	347
856	466	466	6:SP2_SP3_SP3	N[3x6]	C[3x6]	C[3x6]	4:4:3:	4:3:3:1:	4:3:4:1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[5,6,6]-4:N[3x6]-3:C[6,6]-3:H-1:	C[5,6]-4:N[3x6]-3:C[3x6]-4:H-1:	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(N[3x6]C[3x6]C[6])(C[6,6]C[6,6]H)(H)	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H)	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C){2|C<4>,2|H<1>,6|C<3>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(N[3x6]C[3x6]C[6])(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,7|C<3>}	113.7670	0.000	1	113.7670	0.000	1	113.7670	0.000	1	113.7670	0.000	1	113.7670	0.000	1	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(C[6,6]N[3x6]H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(C[6,6]N[3x6]H){1|Pd<4>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,7|H<1>}	111.8705	1.189	2	111.8705	1.413	2	111.8705	1.413	2	111.8705	1.413	2	108.7636	1.606	17	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|O<1>,2|C<4>,6|H<1>}	109.2710	0.000	1	109.2710	0.000	1	109.2710	0.000	1	108.3494	0.172	15	108.7636	1.606	17	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	108.3330	0.000	1	108.2836	0.115	14	108.2836	0.115	14	108.3494	0.172	15	108.7636	1.606	17	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	108.2335	0.336	10	108.2836	0.115	14	108.2836	0.115	14	108.3494	0.172	15	108.7636	1.606	17	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	108.4340	0.437	3	108.2836	0.115	14	108.2836	0.115	14	108.3494	0.172	15	108.7636	1.606	17	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:1:	4:4:3:4:	4:4:3:1:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	N[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3){3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){2|H<1>,4|C<4>}	114.8890	0.000	1	114.8890	0.000	1	114.8890	0.000	1	114.8890	0.000	1	113.3278	2.368	9	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:3:	4:3:3:1:	4:3:3:1:	C[3x6]-4:C[3x6]-4:N-3:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO)	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H)	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO){2|C<4>,2|N<3>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	115.4520	0.000	1	115.4520	0.000	1	115.4520	0.000	1	115.4520	0.000	1	113.3278	2.368	9	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:3:	4:3:4:4:	3:4:3:1:	C[3x6]-4:C[3x6]-4:C-3:	C[4x6]-4:N[6,6]-3:C[6]-4:C-4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6]C)(COO)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(C[6]C[6]HH)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6]C)(COO){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H){1|H<1>,2|C<3>,5|C<4>}	115.3690	0.000	1	115.3690	0.000	1	115.3690	0.000	1	115.3690	0.000	1	113.3278	2.368	9	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:3:	4:4:3:1:	3:2:2:1:	C[3x6]-4:C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H){2|H<1>,4|C<4>}	112.1290	0.102	2	112.1290	0.010	2	112.1000	0.030	5	112.1000	0.030	5	113.3278	2.368	9	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:3:	4:4:3:1:	3:2:2:1:	C[3x6]-4:C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	112.0807	0.229	3	112.0807	0.052	3	112.1000	0.030	5	112.1000	0.030	5	113.3278	2.368	9	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6](C[3x6]C[6,6]2H)2(CCO)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]C)(H)	N[6,6](C[3x6]C[6,6]2H)2(CCO){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]C)(H){1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]C)(H){1|N<3>,2|C<4>,3|H<1>}	113.7400	0.000	1	113.7400	0.000	1	113.7400	0.000	1	113.7400	0.000	1	113.3278	2.368	9	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-3:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H){1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<3>,4|H<1>}	115.7665	0.346	2	115.7665	0.120	2	115.7665	0.120	2	115.7665	0.120	2	114.6452	0.902	13	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	113.7960	0.000	1	113.7960	0.000	1	113.7960	0.000	1	113.7960	0.000	1	114.6452	0.902	13	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:3:	3:4:3:4:	3:4:4:1:	C[3x6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	N[6,6]-3:C[3x6]-4:C-4:H-1:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(CH3)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(CCHH)(H)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(CCHH)(H){2|H<1>,3|C<3>,3|C<4>}	112.9430	0.000	1	112.9430	0.000	1	112.9430	0.000	1	112.9430	0.000	1	114.6452	0.902	13	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	114.8150	0.000	1	114.8150	0.000	1	114.8150	0.000	1	114.9640	0.038	4	114.6452	0.902	13	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	114.7770	0.000	1	114.7770	0.000	1	115.0137	0.042	3	114.9640	0.038	4	114.6452	0.902	13	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,4|H<1>}	115.1390	0.000	1	115.1390	0.000	1	115.0137	0.042	3	114.9640	0.038	4	114.6452	0.902	13	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(N[6,6]C[6,6]C)(H){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	115.1250	0.000	1	115.1250	0.000	1	115.0137	0.042	3	114.9640	0.038	4	114.6452	0.902	13	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:3:	4:3:3:1:	4:3:4:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:C-4:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CH3)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	114.7370	0.000	1	114.7370	0.000	1	114.7370	0.000	1	114.7370	0.000	1	114.6452	0.902	13	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO){1|C<4>,1|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	113.3790	0.000	1	113.3790	0.000	1	114.3805	1.254	4	114.3805	1.254	4	114.6452	0.902	13	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO){1|C<4>,2|N<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	113.5110	0.000	1	113.5110	0.000	1	114.3805	1.254	4	114.3805	1.254	4	114.6452	0.902	13	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CHO)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CHO){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	114.9610	0.000	1	114.9610	0.000	1	114.3805	1.254	4	114.3805	1.254	4	114.6452	0.902	13	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]HO)2(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){2|C<4>,2|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]HO)2(N[6,6]C[6,6]C)(H){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	115.6710	0.000	1	115.6710	0.000	1	114.3805	1.254	4	114.3805	1.254	4	114.6452	0.902	13	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6]	3:4:4:	3:3:3:1:	3:4:1:1:	C[6,6a]-3:C[3x6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2{2|C<3>,2|N<3>,3|H<1>}	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	113.9460	24.717	6	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:3:4:	3:3:3:1:	3:3:3:1:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[3x6]-3:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H){2|N<3>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	108.0620	0.000	1	108.0620	0.000	1	108.0620	0.000	1	108.0620	0.000	1	113.9460	24.717	6	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:3:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-3:C[6]-4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH){4|H<1>,5|C<4>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,5|C<4>,7|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	113.1860	0.000	1	113.1860	0.000	1	113.1860	0.000	1	113.1860	0.000	1	113.9460	24.717	6	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[3x6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|S<4>,3|C<4>,7|H<1>}	C[3x6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(C[6]C[6]HH)2{1|N<3>,2|C<4>,3|O<1>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	114.4170	0.000	1	114.4170	0.000	1	114.4170	0.000	1	114.4170	0.000	1	113.9460	24.717	6	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	3:4:3:3:	3:4:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C-3:H-1:	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]O[6]HH)(COO)(H)	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]O[6]HH)(COO)(H){1|O<1>,2|C<3>,2|C<4>}	122.0540	0.000	1	122.0540	0.000	1	122.0540	0.000	1	122.0540	0.000	1	113.9460	24.717	6	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	116.1840	0.000	1	116.1840	0.000	1	116.1840	0.000	1	116.1840	0.000	1	113.9460	24.717	6	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[4x6]	C[6]	4:4:3:	3:4:3:4:	3:4:1:1:	C[4x6]-4:C[6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|I<1>,2|O<1>,4|C<4>,6|H<1>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	115.7070	0.000	1	115.7070	0.000	1	115.7070	0.000	1	115.7070	0.000	1	115.7777	2.667	4	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[4x6]	C[6]	4:4:3:	4:4:3:4:	3:4:1:1:	C[4x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,8|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){2|O<1>,5|C<4>,8|H<1>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	114.6470	0.016	2	114.6470	0.000	2	115.8013	3.998	3	115.8013	3.998	3	115.7777	2.667	4	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[4x6]	C[6]	4:4:3:	4:4:3:4:	3:4:1:1:	C[4x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[4x6](C[3x6]C[6,6]O[6]C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]O[6]C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,2|O<1>,4|C<4>,6|H<1>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	118.1100	0.000	1	118.1100	0.000	1	115.8013	3.998	3	115.8013	3.998	3	115.7777	2.667	4	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[3x6]	4:3:4:	3:3:4:1:	3:4:4:1:	C[6,6]-4:C[5,6]-3:C[3x6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[3x6]C[6,6]2H)	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[3x6](N[6,6]C[5,6]C[6,6])(C[6,6]C[6]2H)2(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[3x6]C[6,6]2H){1|C<3>,6|H<1>,7|C<4>}	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[3x6](N[6,6]C[5,6]C[6,6])(C[6,6]C[6]2H)2(H){1|C<3>,1|N<3>,3|C<4>,9|H<1>}	116.0320	0.000	1	116.0320	0.000	1	116.0320	0.000	1	116.0320	0.000	1	113.7443	1.999	6	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[3x6]	4:4:3:	3:3:4:1:	3:4:4:1:	C[6,6]-4:C[3x6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	112.3610	0.199	2	112.3610	0.040	2	113.0323	1.372	3	113.0323	1.372	3	113.7443	1.999	6	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[3x6]	4:4:3:	3:3:4:1:	3:4:4:1:	C[6,6]-4:C[3x6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O){6|C<4>,6|H<1>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,7|H<1>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){1|N<3>,1|O<1>,3|C<4>,9|H<1>}	114.3750	0.000	1	114.3750	0.000	1	113.0323	1.372	3	113.0323	1.372	3	113.7443	1.999	6	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[3x6]	4:4:3:	3:4:3:1:	3:4:4:1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|C<3>,7|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	113.7443	1.999	6	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[3x6]	4:4:3:	3:4:3:1:	3:4:4:4:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[3x6]-4:B[5a]-3:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H){3|H<1>,4|C<3>,4|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	114.1600	0.000	1	114.1600	0.000	1	114.1600	0.000	1	114.1600	0.000	1	113.7443	1.999	6	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:3:1:	3:3:3:1:	C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6]H)2(H)	C[6,6](N[6,6]C[6,6]H)(N[6]C[6a]N[6])(C[6]N[6]C)(H)	C[6,6](N[6,6]C[6,6]H)(N[6]C[6a]N[6])(C[6]N[6]C)(H)	N[6,6](C[6,6]C[6]N[6]H)2(H){2|N<2>,4|C<3>}	C[6,6](N[6,6]C[6,6]H)(N[6]C[6a]N[6])(C[6]N[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](N[6,6]C[6,6]H)(N[6]C[6a]N[6])(C[6]N[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	107.8300	0.520	3	107.8300	0.270	3	107.8300	0.270	3	107.8300	0.270	3	110.4472	4.412	12	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:3:	3:3:2:1:	3:3:2:1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	N[6,6](C[6,6]C[6,6a]O[6]H)2(C[6a]N[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H)	N[6,6](C[6,6]C[6,6a]O[6]H)2(C[6a]N[6a]2){6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,4|C<3>}	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	110.4472	4.412	12	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:3:	3:3:3:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6]HH)(H){2|H<1>,3|C<3>}	112.2470	0.000	1	112.2470	0.000	1	112.2470	0.000	1	112.2470	0.000	1	110.4472	4.412	12	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:3:	3:3:4:1:	3:3:4:1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:N[5,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:C[6]-4:H-1:	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	109.7490	0.000	1	109.7490	0.000	1	109.7490	0.000	1	109.7490	0.000	1	110.4472	4.412	12	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:3:	3:3:4:1:	3:4:2:1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:N[6]-2:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	110.4472	4.412	12	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2){10|H<1>,1|C<4>,3|C<3>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	110.7300	0.393	2	110.7300	0.155	2	110.7300	0.155	2	110.7300	0.155	2	110.4472	4.412	12	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:C-3:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	114.1720	0.000	1	114.1720	0.000	1	114.1720	0.000	1	114.1720	0.000	1	110.4472	4.412	12	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:S-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)2(SCOO)	C[6,6](N[6,6]C[6,6]S)(C[6]N[6]HH)2(H)	C[6,6](N[6,6]C[6,6]S)(C[6]N[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(SCOO){2|N<3>,8|H<1>}	C[6,6](N[6,6]C[6,6]S)(C[6]N[6]HH)2(H){1|H<1>,2|C<4>,2|S<4>}	C[6,6](N[6,6]C[6,6]S)(C[6]N[6]HH)2(H){1|H<1>,2|C<4>,2|S<4>}	112.4750	0.106	2	112.4750	0.011	2	112.4750	0.011	2	112.4750	0.011	2	110.4472	4.412	12	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:3:2:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:3:3:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	114.9630	0.000	1	114.9630	0.000	1	114.9630	0.000	1	114.6300	29.315	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:3:3:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	109.6330	0.222	2	110.2097	1.022	3	114.5634	36.610	5	114.6300	29.315	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:3:3:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	111.3630	0.000	1	110.2097	1.022	3	114.5634	36.610	5	114.6300	29.315	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:3:3:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	122.1510	0.000	1	122.1510	0.000	1	114.5634	36.610	5	114.6300	29.315	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:3:3:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|S<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	120.0370	0.000	1	120.0370	0.000	1	114.5634	36.610	5	114.6300	29.315	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:3:4:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	108.4055	0.166	2	108.4055	0.028	2	108.4055	0.028	2	108.4055	0.028	2	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2{1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	111.2720	0.000	1	111.2720	0.000	1	111.2720	0.000	1	111.2720	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	111.8780	3.835	4	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(C[6]O[6]HH)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	114.5420	0.000	1	114.5420	0.000	1	114.5420	0.000	1	111.8780	3.835	4	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.0010	0.000	1	110.0010	0.000	1	110.4745	0.448	2	111.8780	3.835	4	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	110.9480	0.000	1	110.9480	0.000	1	110.4745	0.448	2	111.8780	3.835	4	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	4:3:1:1:	3:2:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6]-2:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(N[6,6]C[6,6a]C[6])(H)2	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(N[6,6]C[6,6a]C[6])(H)2{1|N<2>,4|H<1>,5|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	4:3:4:1:	3:4:4:1:	C[6]-3:C[6,6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6]C[3,6,6]O)(C[6,6]C[6]2H)(C[6]C[6]CH)	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6]C[3,6,6]O)(C[6,6]C[6]2H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	117.6350	0.000	1	117.6350	0.000	1	117.6350	0.000	1	117.6350	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:2:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6]-3:N[6,6]-3:O[6]-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	111.9660	0.000	1	111.9660	0.000	1	111.9660	0.000	1	111.9660	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:3:3:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:N[6,6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	119.3220	0.000	1	119.3220	0.000	1	119.3220	0.000	1	119.3220	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6,6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	121.6740	0.000	1	121.6740	0.000	1	121.6740	0.000	1	115.3965	11.211	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	115.3595	1.842	2	115.3595	3.393	2	115.3595	3.393	2	115.3965	11.211	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	113.8330	0.000	1	113.8330	0.000	1	113.3287	0.213	3	115.3965	11.211	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	113.0765	0.209	2	113.0765	0.044	2	113.3287	0.213	3	115.3965	11.211	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.4360	0.000	1	119.4360	0.000	1	116.7995	5.065	4	116.3475	4.974	13	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	116.9030	0.371	2	116.9030	0.137	2	116.7995	5.065	4	116.3475	4.974	13	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	113.9560	0.000	1	113.9560	0.000	1	116.7995	5.065	4	116.3475	4.974	13	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	112.6590	0.000	1	112.6590	0.000	1	116.1466	5.414	9	116.3475	4.974	13	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.2880	0.000	1	119.2880	0.000	1	116.1466	5.414	9	116.3475	4.974	13	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	112.2510	0.000	1	112.2510	0.000	1	116.1466	5.414	9	116.3475	4.974	13	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	116.8535	0.789	6	116.8535	0.622	6	116.1466	5.414	9	116.3475	4.974	13	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:4:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	122.9780	0.000	1	122.9780	0.000	1	122.9780	0.000	1	122.9780	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	114.9070	0.000	1	114.9070	0.000	1	114.9070	0.000	1	114.9070	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	114.2850	0.000	1	114.2850	0.000	1	114.2850	0.000	1	114.3447	0.274	7	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	113.9100	0.420	3	114.0670	0.216	4	114.0670	0.216	4	114.3447	0.274	7	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	114.5380	0.000	1	114.0670	0.216	4	114.0670	0.216	4	114.3447	0.274	7	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>,3|H<1>}	114.9300	0.000	2	114.9300	0.000	2	114.9300	0.000	2	114.3447	0.274	7	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH)	C[6,6](C[6]C[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	115.3810	0.000	1	115.3810	0.000	1	115.3810	0.000	1	115.3810	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:2:	3:3:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	115.1857	0.423	3	115.1857	0.179	3	115.1857	0.179	3	115.1857	0.179	3	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:2:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	114.1013	0.140	3	114.1013	0.020	3	114.1013	0.020	3	114.1013	0.020	3	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:2:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:O[6]-2:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	113.9430	0.000	1	113.9430	0.000	1	113.9430	0.000	1	113.9430	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	114.8740	0.000	1	114.8740	0.000	1	114.8740	0.000	1	114.8740	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:3:1:	3:4:2:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C-2:C-2:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2{1|O<2>,2|H<1>,3|C<3>}	111.6930	0.000	1	111.6930	0.000	1	111.6930	0.000	1	111.6930	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	119.5140	0.000	1	119.5140	0.000	1	119.5140	0.000	1	119.5140	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]S[6]S)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]S[6]S){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|S<1>,1|S<2>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,1|S<2>,2|H<1>}	112.0770	0.000	1	112.0770	0.000	1	112.0770	0.000	1	112.0770	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	116.6840	0.000	1	116.6840	0.000	1	116.6840	0.000	1	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	115.8680	0.840	2	117.3967	3.879	4	116.8380	5.140	11	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	118.9255	1.258	2	117.3967	3.879	4	116.8380	5.140	11	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.0840	0.000	1	113.0840	0.000	1	116.8380	5.140	11	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	120.2650	0.000	1	120.2650	0.000	1	116.8380	5.140	11	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	115.1300	0.000	1	116.5177	5.882	3	116.8380	5.140	11	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	115.1050	0.000	1	116.5177	5.882	3	116.8380	5.140	11	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	119.3180	0.000	1	116.5177	5.882	3	116.8380	5.140	11	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	116.3645	0.400	2	116.3645	0.160	2	116.8380	5.140	11	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.7710	0.890	2	113.7710	0.791	2	116.1291	6.702	12	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.0235	0.187	2	119.2267	9.703	3	116.1291	6.702	12	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	115.6330	0.000	1	119.2267	9.703	3	116.1291	6.702	12	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	115.2390	0.000	1	115.2390	0.000	1	116.1291	6.702	12	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.8140	0.000	1	115.0638	1.115	5	116.1291	6.702	12	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	115.3762	0.914	4	115.0638	1.115	5	116.1291	6.702	12	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	117.7690	0.000	1	117.7690	0.000	1	116.1291	6.702	12	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	116.4126	5.440	25	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	117.1145	8.510	2	116.5317	37.229	3	116.5317	37.229	3	116.6495	24.875	4	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	115.3660	0.000	1	116.5317	37.229	3	116.5317	37.229	3	116.6495	24.875	4	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	117.0030	0.000	1	117.0030	0.000	1	117.0030	0.000	1	116.6495	24.875	4	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	114.4280	0.000	1	116.1993	7.643	3	116.3198	3.598	6	116.3198	3.598	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	114.7850	0.000	1	116.1993	7.643	3	116.3198	3.598	6	116.3198	3.598	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	119.3850	0.000	1	116.1993	7.643	3	116.3198	3.598	6	116.3198	3.598	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	117.7440	0.000	1	117.7440	0.000	1	116.3198	3.598	6	116.3198	3.598	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	115.9730	0.000	1	115.9730	0.000	1	116.3198	3.598	6	116.3198	3.598	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	115.6040	0.000	1	115.6040	0.000	1	116.3198	3.598	6	116.3198	3.598	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:C-3:H-1:	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(COO)(H)	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(COO)(H){1|O<1>,2|C<3>,3|C<4>}	114.1140	0.000	1	114.1140	0.000	1	114.1140	0.000	1	114.1140	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:S[6]-2:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]S[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)(C[6]S[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,1|S<2>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	114.9153	0.575	3	114.9153	0.331	3	114.9153	0.331	3	114.9153	0.331	3	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.7960	0.741	2	113.7960	0.549	2	113.7960	0.549	2	114.2432	1.118	22	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	113.6849	0.507	12	113.7875	0.347	15	114.2618	1.235	19	114.2432	1.118	22	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	114.1977	0.836	3	113.7875	0.347	15	114.2618	1.235	19	114.2432	1.118	22	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]S[6]HH)(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]S[6]HH)(C[6]N[6]O)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	116.0408	0.670	4	116.0408	0.449	4	114.2618	1.235	19	114.2432	1.118	22	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:N[6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,6|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	114.7840	0.000	1	114.7840	0.000	1	114.7840	0.000	1	114.2432	1.118	22	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C-3:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	113.0450	0.000	1	113.0450	0.000	1	113.0450	0.000	1	113.0450	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<4>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	112.5220	0.005	2	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	112.4730	0.000	1	112.4730	0.000	1	112.4730	0.000	1	112.5220	0.005	2	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-3:C-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHO)(H){1|H<1>,1|O<1>,4|C<4>}	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<4>,7|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	114.5890	0.000	1	114.5890	0.000	1	114.8475	0.134	2	114.3770	0.731	3	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,2|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	115.1060	0.000	1	115.1060	0.000	1	114.8475	0.134	2	114.3770	0.731	3	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:N[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,7|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|N<4>,1|O<2>,2|C<4>,3|H<1>}	113.4360	0.000	1	113.4360	0.000	1	113.4360	0.000	1	114.3770	0.731	3	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|Cl<1>,2|C<4>,7|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	117.2340	0.000	1	117.5475	0.197	2	117.5475	0.197	2	117.5475	0.197	2	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){2|C<4>,8|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	117.8610	0.000	1	117.5475	0.197	2	117.5475	0.197	2	117.5475	0.197	2	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<1>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<1>,4|H<1>}	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.4103	0.895	3	113.7765	1.070	4	113.7765	1.070	4	114.3317	1.409	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	114.8750	0.000	1	113.7765	1.070	4	113.7765	1.070	4	114.3317	1.409	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O)	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O){3|C<4>,4|C<3>}	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|N<3>,2|O<1>}	115.7050	0.000	1	115.7050	0.000	1	115.7050	0.000	1	114.3317	1.409	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	114.3317	1.409	6	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	119.4900	0.000	1	119.4900	0.000	1	119.4900	0.000	1	115.3620	12.813	3	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O){1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	113.2980	0.256	2	113.2980	0.066	2	113.2980	0.066	2	115.3620	12.813	3	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:2:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:N[6,6]-3:O[6]-2:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6]N[6,6]C[6a]O[6])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6a]O[6])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,6|C<3>}	118.6345	0.360	2	118.6345	0.130	2	118.6345	0.130	2	118.6345	0.130	2	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,5,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,5,6]HH)(H)2	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	117.9560	0.000	1	117.9560	0.000	1	117.9560	0.000	1	116.1833	2.411	3	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<4>,1|O<1>,4|C<4>,4|H<1>}	115.5300	0.000	1	115.5300	0.000	1	115.5300	0.000	1	116.1833	2.411	3	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[6]C[6a]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	115.0640	0.000	1	115.0640	0.000	1	115.0640	0.000	1	116.1833	2.411	3	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]Cl)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]Cl){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|N<4>,2|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|Cl<1>,1|C<3>,1|N<4>,3|C<4>,4|H<1>}	111.6750	0.000	1	111.6750	0.000	1	114.2922	3.556	15	114.2895	3.319	16	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	112.9780	0.000	1	112.9780	0.000	1	114.2922	3.556	15	114.2895	3.319	16	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	112.7650	0.000	1	114.2824	3.043	11	114.2922	3.556	15	114.2895	3.319	16	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	113.8170	0.000	1	114.2824	3.043	11	114.2922	3.556	15	114.2895	3.319	16	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	113.1850	0.000	1	114.2824	3.043	11	114.2922	3.556	15	114.2895	3.319	16	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	112.7380	0.000	1	114.2824	3.043	11	114.2922	3.556	15	114.2895	3.319	16	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	115.2160	0.000	1	114.2824	3.043	11	114.2922	3.556	15	114.2895	3.319	16	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	113.6557	0.813	4	114.2824	3.043	11	114.2922	3.556	15	114.2895	3.319	16	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<4>,1|O<1>,4|C<4>,4|H<1>}	117.3810	0.832	2	114.2824	3.043	11	114.2922	3.556	15	114.2895	3.319	16	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	117.4550	0.000	1	117.4550	0.000	1	114.2922	3.556	15	114.2895	3.319	16	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	115.1690	0.000	1	115.1690	0.000	1	114.2922	3.556	15	114.2895	3.319	16	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[3,5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6]C[3,5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6]C[3,5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,3|H<1>,5|C<4>}	114.2490	0.000	1	114.2490	0.000	1	114.2490	0.000	1	114.2895	3.319	16	115.0253	7.540	159	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2	C[6,6](N[6,6]C[5a,6]C[6])2(H)2	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,3|N<3>}	C[6,6](N[6,6]C[5a,6]C[6])2(H)2{2|C<3>,2|N<3>,4|H<1>}	109.8470	0.139	2	109.8470	0.019	2	109.8470	0.019	2	107.8018	0.508	86	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	108.1358	0.179	12	108.1358	0.032	12	107.6761	0.419	74	107.8018	0.508	86	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	107.5710	0.245	6	107.5863	0.458	60	107.6761	0.419	74	107.8018	0.508	86	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	107.1180	0.000	1	107.5863	0.458	60	107.6761	0.419	74	107.8018	0.508	86	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|Br<1>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	107.6070	0.000	1	107.5863	0.458	60	107.6761	0.419	74	107.8018	0.508	86	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	107.4444	0.428	34	107.5863	0.458	60	107.6761	0.419	74	107.8018	0.508	86	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	107.8093	1.001	12	107.5863	0.458	60	107.6761	0.419	74	107.8018	0.508	86	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	108.1368	1.479	4	107.5863	0.458	60	107.6761	0.419	74	107.8018	0.508	86	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Se<2>,1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	107.8315	0.523	2	107.5863	0.458	60	107.6761	0.419	74	107.8018	0.508	86	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	107.3000	0.000	1	107.3000	0.000	1	107.6761	0.419	74	107.8018	0.508	86	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	107.9200	0.000	1	107.9200	0.000	1	107.6761	0.419	74	107.8018	0.508	86	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6a]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]2)(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]2)(H)2{2|H<1>,2|N<3>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	108.3226	0.185	10	108.3226	0.034	10	108.3226	0.034	10	107.8018	0.508	86	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	4:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2{4|C<3>,4|H<1>}	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:4:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{2|C<4>,2|H<1>,4|C<3>}	106.0530	0.000	1	106.0530	0.000	1	106.0530	0.000	1	106.0530	0.000	1	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,2|C<3>,6|H<1>}	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	3:3:1:1:	4:3:4:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	119.0890	0.000	1	119.0890	0.000	1	119.0890	0.000	1	119.0890	0.000	1	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	3:3:3:1:	3:3:3:2:	C[6]-4:C[6,6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C[6]-3:C[6]-3:N[6,6]-3:O-2:	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	C[6,6](C[6]C[5a,6]O)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6](C[6]C[5a,6]O)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	126.7130	0.000	1	126.7130	0.000	1	126.7130	0.000	1	126.7130	0.000	1	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C[6]-4:C[6]-3:N[6,6]-3:H-1:	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	C[6,6](C[6]C[5a,6]HH)(C[6]N[5,6]O)(N[6,6]C[6]2)(H)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[5a,6]HH)(C[6]N[5,6]O)(N[6,6]C[6]2)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1	121.6764	2.053	5	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	121.0457	0.206	3	121.0457	0.042	3	121.0457	0.042	3	121.6764	2.053	5	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	121.0190	0.000	1	121.0190	0.000	1	121.0190	0.000	1	121.6764	2.053	5	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	3:3:4:1:	3:3:4:1:	C[6]-4:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	3:3:4:1:	4:3:3:2:	C[6]-4:C[6,6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C-4:H-1:	C[6]-4:C[6]-3:N[6,6]-3:O-2:	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H)	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	123.9840	0.000	1	123.9840	0.000	1	123.9840	0.000	1	123.9840	0.000	1	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	3:4:1:1:	3:3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:S[6]-2:H-1:	N[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]N[6]O)(S[6]C[6])(H)	N[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]N[6]O)(S[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	114.1130	0.962	3	114.1130	0.925	3	114.1130	0.925	3	114.1130	0.925	3	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]Pd)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]Pd){1|C<3>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|Pd<4>,1|C<4>,1|N<3>,6|H<1>}	110.8010	0.000	1	110.8010	0.000	1	110.8010	0.000	1	110.8010	0.000	1	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]S)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]S){2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H){1|S<1>,2|H<1>,4|C<4>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|S<1>,4|C<4>,4|H<1>}	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	4:3:1:1:	2:3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:N[6,6]-3:H-1:H-1:	O[6]-2:C[6a]-3:N[6,6]-3:O[6]-2:	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a])	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a]){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	114.8350	0.000	1	114.8350	0.000	1	114.8350	0.000	1	114.8350	0.000	1	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	114.2140	0.000	1	114.2140	0.000	1	114.2140	0.000	1	114.2140	0.000	1	109.3996	17.582	105	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	B[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,2|P<3>,4|H<1>}	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	112.7030	0.000	1	110.8313	2.734	3	110.8313	2.734	3	112.9356	5.195	8	112.9356	5.195	8	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	B[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,2|P<4>,4|H<1>}	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	109.8955	0.462	2	110.8313	2.734	3	110.8313	2.734	3	112.9356	5.195	8	112.9356	5.195	8	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	115.7685	0.088	2	114.1982	2.411	5	114.1982	2.411	5	112.9356	5.195	8	112.9356	5.195	8	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	114.1220	0.000	1	114.1982	2.411	5	114.1982	2.411	5	112.9356	5.195	8	112.9356	5.195	8	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Si<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	112.6660	0.052	2	114.1982	2.411	5	114.1982	2.411	5	112.9356	5.195	8	112.9356	5.195	8	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[3x6]	C[6]	4:4:1:	4:4:3:4:	3:3:4:4:	C[3x6]-4:C[6]-4:O-1:	C[4x6]-4:C[3x6]-4:N[6]-3:C-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	N[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6a]CC)(O)	C[3x6](C[4x6]C[6,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2	N[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6a]CC)(O){1|H<1>,2|C<3>,4|C<4>}	C[3x6](C[4x6]C[6,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[6]C[6]O)(CH3){2|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	122.5470	0.000	1	122.5470	0.000	1	122.5470	0.000	1	122.5470	0.000	1	116.2797	29.464	3	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[3x6]	C[6]	4:4:3:	4:3:4:3:	3:4:1:1:	C[3x6]-4:C[6]-4:C-3:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]C)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	N[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]C){1|N<3>,5|C<4>,8|H<1>}	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	113.1460	0.091	2	113.1460	0.008	2	113.1460	0.008	2	113.1460	0.008	2	116.2797	29.464	3	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6,6]	4:4:1:	3:3:3:3:	4:3:3:2:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[3x6]-4:C[6a]-3:N[6]-3:O[6]-2:	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6,6]C[3x6]C[6a]O[6])(H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[5,6])	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6,6]C[3x6]C[6a]O[6])(H){1|C<4>,1|N<2>,1|O<1>,8|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[5,6]){11|C<3>,3|H<1>}	115.2380	0.000	1	115.2380	0.000	1	115.2380	0.000	1	115.2380	0.000	1	119.8810	43.115	2	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6,6]	4:4:1:	3:4:4:4:	3:4:4:4:	C[6,6]-4:C[6,6]-4:O-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	N[6](C[6,6]C[6]3)2(O)	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3	N[6](C[6,6]C[6]3)2(O){12|H<1>,1|C<3>,4|C<4>}	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3{1|O<1>,4|C<4>,4|H<1>}	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3{1|O<1>,4|C<4>,4|H<1>}	124.5240	0.000	1	124.5240	0.000	1	124.5240	0.000	1	124.5240	0.000	1	119.8810	43.115	2	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:3:4:	3:4:2:1:	3:4:1:1:	C[6,6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6,6]-4:O[6]-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	114.2300	0.000	1	114.2300	0.000	1	114.2300	0.000	1	114.2300	0.000	1	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:3:4:	3:4:4:3:	3:4:4:1:	C[6,6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6,6](N[6]C[6a]C[6])(C[6]C[6]HH)2(C[6]C[6]N)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(CCHH)(H)	N[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6]C[6]HH)2(C[6]C[6]N){1|C<2>,2|C<3>,4|C<4>,4|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,3|C<3>,3|C<4>}	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:2:1:1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:O[6]-2:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(O[6]C[6])(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H){2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](N[6]C[6,6]H)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:3:1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H){1|N<4>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]H)(H){2|C<4>,4|C<3>,5|H<1>}	113.1790	0.000	1	113.1790	0.000	1	113.1790	0.000	1	113.1790	0.000	1	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:2:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-2:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CN)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CN){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	116.2890	0.000	1	116.2890	0.000	1	116.2890	0.000	1	116.2890	0.000	1	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	3:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO){5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2{1|H<1>,1|O<2>,4|C<3>}	117.4590	0.000	1	117.4590	0.000	1	117.4590	0.000	1	117.4590	0.000	1	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[5a,6]-3:C[6,6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	3:3:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[5,6,6]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CCO)	C[6,6](C[5,6,6]C[5,6,6]N[5])(C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CCO){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]N[5])(C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{2|C<4>,3|C<3>}	115.3610	0.000	1	115.3610	0.000	1	115.3610	0.000	1	115.3610	0.000	1	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[5,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(COO){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.0560	0.433	2	115.0560	0.187	2	115.0560	0.187	2	116.7356	2.660	5	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CCO)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CCO){3|C<3>,4|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	117.0230	0.000	1	117.0230	0.000	1	117.8553	0.525	3	116.7356	2.660	5	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO){3|C<3>,4|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	118.2715	0.107	2	118.2715	0.011	2	117.8553	0.525	3	116.7356	2.660	5	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-4:C-4:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(CH3)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	118.3270	0.000	1	118.3270	0.000	1	118.3270	0.000	1	118.3270	0.000	1	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,5|C<4>,6|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	113.7570	7.908	4	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	117.5470	0.000	1	117.5470	0.000	1	115.7445	6.498	2	113.7570	7.908	4	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N[5]H)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N[5]H)(N[6]C[6]C)(H){1|N<3>,3|C<4>,6|H<1>}	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	113.9420	0.000	1	113.9420	0.000	1	115.7445	6.498	2	113.7570	7.908	4	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:P-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(POO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]P)(H)	C[6](N[6]C[6,6]P)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(POO){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]P)(H){2|C<4>,8|H<1>}	C[6](N[6]C[6,6]P)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	112.6140	0.000	1	112.6140	0.000	1	112.6140	0.000	1	113.7570	7.908	4	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:3:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:C-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|Cl<1>,1|C<3>,2|C<4>,6|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	120.8800	2.073	2	120.8800	4.298	2	120.8800	4.298	2	120.8800	4.298	2	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:C-4:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(COO)	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6a])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.3320	0.000	1	118.3320	0.000	1	118.3320	0.000	1	117.3256	0.875	5	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]N[5]H)(N[6]C[6]C)(H)	C[6](C[6]N[6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO){1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]N[5]H)(N[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,3|C<4>}	116.1290	0.000	1	116.1290	0.000	1	117.0740	0.745	4	117.3256	0.875	5	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<4>,8|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	117.0090	0.420	2	117.3890	0.521	3	117.0740	0.745	4	117.3256	0.875	5	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	118.1490	0.000	1	117.3890	0.521	3	117.0740	0.745	4	117.3256	0.875	5	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:3:	3:3:1:1:	C[6]-4:C[6,6]-4:C-3:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(CCO)	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(CCO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	119.2700	0.000	1	119.2700	0.000	1	119.2700	0.000	1	119.2700	0.000	1	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:4:3:	3:4:4:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(CC[6a]O)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCHH)(H)	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(CC[6a]O){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C){1|N<2>,1|O<2>,3|C<4>,4|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCHH)(H){1|N<2>,3|C<4>}	121.3780	0.000	1	121.3780	0.000	1	121.4580	0.013	2	121.4580	0.013	2	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:4:3:	3:4:4:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(COO)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCCH)(H)	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(COO){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCCH)(H){1|O<1>,3|C<4>}	121.5380	0.000	1	121.5380	0.000	1	121.4580	0.013	2	121.4580	0.013	2	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:S-4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]S)(H)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]S)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:S-4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(SCOO)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(SCOO){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]S)(H)2{1|H<1>,1|O<2>,3|C<4>}	117.1685	1.368	2	117.1685	1.872	2	117.1685	1.872	2	117.1685	1.872	2	116.9836	7.538	33	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:3:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CC[6a]O)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CC[6a]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H){2|C<4>,5|H<1>}	117.3600	0.000	1	117.3600	0.000	1	117.8585	0.497	2	117.8585	0.497	2	117.8585	0.497	2	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:3:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(COO){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H){2|C<4>,5|H<1>}	118.3570	0.000	1	118.3570	0.000	1	117.8585	0.497	2	117.8585	0.497	2	117.8585	0.497	2	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	108.2230	0.000	1	108.2230	0.000	1	109.5541	0.729	12	109.5541	0.729	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	109.5485	0.268	2	109.3992	0.118	6	109.5541	0.729	12	109.5541	0.729	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	109.3245	0.387	4	109.3992	0.118	6	109.5541	0.729	12	109.5541	0.729	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	110.0062	1.060	5	110.0062	1.123	5	109.5541	0.729	12	109.5541	0.729	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:B[6]-3:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	110.1055	0.002	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1	110.1055	0.002	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[4]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[4]B[4]C[4])(C[6]C[6]HH)2	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	N[6](C[4]B[4]C[4])(C[6]C[6]HH)2{1|Cl<1>,1|B<3>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	112.9280	0.438	2	112.9280	0.192	2	112.9280	0.192	2	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[4a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[4a]C[4a]2)(C[6]C[6]HH)2	C[6](N[6]C[4a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[4a]C[6])(C[6]C[6]HH)(H)2	N[6](C[4a]C[4a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|O<1>,4|H<1>}	C[6](N[6]C[4a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[4a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	115.4315	0.465	2	115.4315	0.216	2	114.8720	1.047	3	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[4a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[4a]C[4a]2)(C[6]C[6]HH)2	C[6](N[6]C[4a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[4a]C[6])(C[6]O[6]HH)(H)2	N[6](C[4a]C[4a]2)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](N[6]C[4a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[4a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	113.7530	0.000	1	113.7530	0.000	1	114.8720	1.047	3	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2{1|B<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	109.0030	0.000	1	109.0030	0.000	1	113.5316	3.523	32	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5,6]C[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5,6]C[5])(C[6]C[6]HH)2{1|C<2>,1|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.2580	0.000	1	111.4620	1.267	2	113.5316	3.523	32	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5,6]C[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5,6]C[5])(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	110.6660	0.000	1	111.4620	1.267	2	113.5316	3.523	32	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5,6]C[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5,6]C[5])(C[6]C[6]HH)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	112.5400	0.000	1	112.5400	0.000	1	113.5316	3.523	32	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5,6a]N[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5,6a]N[5])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	112.8340	0.000	1	112.8340	0.000	1	113.5316	3.523	32	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5]N[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5]N[5])(C[6]C[6]HH)2{1|C<3>,1|P<4>,2|C<4>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	114.0270	0.000	1	114.0270	0.000	1	113.5316	3.523	32	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5]O[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5]O[5])(C[6]C[6]HH)2{1|B<4>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	113.2720	0.000	1	113.2720	0.000	1	113.5316	3.523	32	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5]O[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5]O[5])(C[6]C[6]HH)2{1|B<4>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	112.2785	0.473	4	112.2785	0.223	4	113.5316	3.523	32	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5]S[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5]S[5])(C[6]C[6]HH)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	111.3710	0.000	1	111.3710	0.000	1	113.5316	3.523	32	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]N[5]O[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]N[5]O[5])(C[6]C[6]HH)2{1|Pt<4>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	113.1020	0.542	5	113.1020	0.294	5	113.5316	3.523	32	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]N[5]S[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]N[5]S[5])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	114.5228	0.701	13	114.5228	0.492	13	113.5316	3.523	32	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]Se[5]N[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]Se[5]N[5])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,1|N<2>,4|H<1>}	120.2170	0.000	1	120.2170	0.000	1	113.5316	3.523	32	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]Se[5]N[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]Se[5]N[5])(C[6]C[6]HH)2{1|Se<2>,1|C<3>,1|O<2>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|Se<2>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|Se<2>,1|C<4>,1|N<2>,2|H<1>}	113.4020	0.000	1	113.4020	0.000	1	113.5316	3.523	32	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2{1|N<3>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.0910	0.361	2	110.0910	0.130	2	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2{2|C<3>,2|N<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	112.3265	2.002	2	112.3265	4.007	2	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2{1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	113.1750	0.000	1	113.1750	0.000	1	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	113.5870	0.000	1	113.5870	0.000	1	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2{1|O<2>,1|S<2>,3|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	111.5850	0.000	1	111.5850	0.000	1	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	113.5910	0.000	1	114.2225	0.798	2	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.8540	0.000	1	114.2225	0.798	2	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	113.6827	0.221	4	112.9471	0.874	7	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|N<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	111.9663	0.157	3	112.9471	0.874	7	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	112.9500	0.000	1	112.1280	0.609	4	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	112.2115	0.398	2	112.1280	0.609	4	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	111.1390	0.000	1	112.1280	0.609	4	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|N<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	113.4540	0.000	1	112.8815	0.656	2	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	112.3090	0.000	1	112.8815	0.656	2	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]N[5a,6]C[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]N[5a,6]C[5a])(C[6]C[6]HH)2{1|B<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	111.2160	0.000	1	111.2160	0.000	1	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	109.3720	0.000	1	109.3720	0.000	1	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	116.9710	0.000	1	116.0520	0.961	5	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	115.8222	0.964	4	116.0520	0.961	5	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	114.0395	0.531	2	113.9443	0.168	3	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|S<2>,2|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|S<2>,2|C<4>,2|H<1>}	113.7540	0.000	1	113.9443	0.168	3	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	113.7880	0.832	2	113.7880	0.691	2	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|S<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	116.1030	0.000	1	116.1030	0.000	1	113.2255	3.485	35	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.7470	0.000	1	111.7470	0.000	1	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.3450	0.000	1	110.8370	0.516	2	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	110.3290	0.000	1	110.8370	0.516	2	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	112.9785	4.157	2	111.2015	9.971	4	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.4245	0.035	2	111.2015	9.971	4	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	108.8800	0.000	1	108.8800	0.000	1	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	112.6080	0.000	1	112.7730	0.054	2	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	112.9380	0.000	1	112.7730	0.054	2	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	110.2140	0.000	1	110.2140	0.000	1	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.4390	0.000	1	111.6987	0.422	3	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.4340	0.000	1	111.6987	0.422	3	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.2230	0.000	1	111.6987	0.422	3	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	113.6993	0.892	8	113.0895	3.527	10	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	113.0280	0.000	1	113.0895	3.527	10	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.2730	0.000	1	113.0895	3.527	10	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	109.7777	0.257	3	109.7777	0.066	3	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	114.8240	0.000	2	114.8240	0.000	2	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.7915	0.200	4	112.7915	0.040	4	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.6230	0.000	1	110.5330	0.710	14	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	110.3722	0.614	13	110.5330	0.710	14	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	109.6860	0.000	1	110.5497	0.982	7	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	110.1717	0.319	3	110.5497	0.982	7	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	111.9440	0.000	2	110.5497	0.982	7	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.7590	0.000	1	110.5497	0.982	7	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	109.3530	0.595	3	109.3530	0.355	3	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|S<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	112.3040	0.000	1	112.3040	0.000	1	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	111.0365	0.997	4	111.2090	0.894	5	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	111.8990	0.000	1	111.2090	0.894	5	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	108.4640	0.000	1	108.4640	0.000	1	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.5370	0.000	1	111.5370	0.000	1	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	110.4305	0.190	2	111.7405	2.378	39	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.5092	0.310	5	111.7405	2.378	39	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	111.4310	0.000	1	111.7405	2.378	39	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.6734	1.537	5	111.7405	2.378	39	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.9665	1.372	2	111.7405	2.378	39	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.7270	0.000	1	111.7405	2.378	39	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.0877	1.799	16	111.7405	2.378	39	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	110.5660	0.000	1	111.7405	2.378	39	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	113.5850	0.000	1	111.7405	2.378	39	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	109.2420	0.000	1	111.7405	2.378	39	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.0853	2.116	3	111.7405	2.378	39	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{3|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	111.9630	0.000	1	111.7405	2.378	39	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	113.4567	0.576	4	113.4706	0.670	8	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	113.4845	1.109	4	113.4706	0.670	8	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,2|F<1>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	110.9920	0.000	1	110.9920	0.000	1	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	110.9200	0.000	1	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	112.3770	0.000	1	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	109.8175	1.115	4	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	109.4230	0.000	1	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	109.6140	0.000	1	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.0370	0.000	1	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	110.0260	1.540	2	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	109.2362	0.593	8	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.3317	0.223	4	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	111.1710	0.000	1	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	111.2004	0.721	8	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	111.1360	0.000	1	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	110.3660	0.524	13	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.0200	0.757	24	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.8681	0.878	8	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	110.0660	0.538	4	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	109.3965	0.340	4	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|F<1>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	111.5910	0.000	1	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	112.2250	0.543	2	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	111.9487	1.732	23	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	111.3989	1.921	17	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	110.0090	0.287	2	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	110.0567	0.477	6	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.7335	0.201	4	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|S<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	109.8397	0.584	3	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	112.0970	0.000	1	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	110.8561	1.241	9	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.3940	3.063	2	110.7557	1.995	156	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|B<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	109.6870	0.000	1	110.4638	2.180	35	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	109.7970	0.000	1	110.4638	2.180	35	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	108.8990	0.000	1	110.4638	2.180	35	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	109.7780	0.000	1	110.4638	2.180	35	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	108.8220	0.000	1	110.4638	2.180	35	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	111.5570	1.522	5	110.4638	2.180	35	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	108.4900	0.000	1	110.4638	2.180	35	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	110.2040	1.012	10	110.4638	2.180	35	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	111.3490	0.000	1	110.4638	2.180	35	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	111.8400	1.174	8	110.4638	2.180	35	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	109.1543	0.605	4	110.4638	2.180	35	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	108.2480	0.000	1	110.4638	2.180	35	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|S<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	112.9112	0.232	4	112.9112	0.054	4	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	111.4992	1.167	4	112.8583	1.547	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	112.7590	0.000	1	112.8583	1.547	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	114.0640	0.000	1	112.8583	1.547	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<4>,3|H<1>}	114.1850	0.000	1	112.8583	1.547	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	112.9328	0.739	5	112.8583	1.547	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	111.9500	0.000	1	112.8583	1.547	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	113.5662	1.231	5	112.8583	1.547	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.0543	0.491	3	111.0543	0.241	3	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	111.6880	0.000	1	112.5691	2.912	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	111.5420	0.000	1	112.5691	2.912	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	111.7030	0.000	1	112.5691	2.912	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	110.3960	0.000	1	112.5691	2.912	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	112.4002	0.297	4	112.5691	2.912	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	113.8919	1.786	7	112.5691	2.912	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	109.5250	0.000	1	112.5691	2.912	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	112.9770	0.000	1	112.5691	2.912	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	111.5680	0.000	1	112.5691	2.912	18	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	110.6080	0.000	1	112.3880	1.506	20	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	112.2510	0.000	1	112.3880	1.506	20	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|Cl<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	110.0490	0.000	1	112.3880	1.506	20	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	111.6030	0.177	3	112.3880	1.506	20	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	113.1592	0.708	12	112.3880	1.506	20	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	111.0660	1.376	2	112.3880	1.506	20	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|S<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	114.4010	0.000	1	114.4010	0.000	1	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>,2|O<2>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>,2|O<2>}	113.1330	0.000	1	113.1330	0.000	1	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	114.7470	0.000	1	114.7470	0.000	1	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	114.1263	0.980	15	113.4436	2.687	19	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	110.9947	0.883	3	113.4436	2.687	19	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	110.5510	0.000	1	113.4436	2.687	19	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,2|N<2>}	114.3830	0.000	1	113.3494	1.153	24	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	112.9331	0.326	7	113.3494	1.153	24	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,2|N<2>}	113.5290	0.103	2	113.3494	1.153	24	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	113.8135	1.289	11	113.3494	1.153	24	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,2|N<2>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,2|N<2>,3|H<1>}	112.1405	0.511	2	113.3494	1.153	24	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|N<2>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|N<2>,3|H<1>}	112.1840	0.000	1	113.3494	1.153	24	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	115.1690	0.000	1	113.3554	1.800	19	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	113.6161	0.779	14	113.3554	1.800	19	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	113.7425	0.360	2	113.3554	1.800	19	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	110.2360	0.604	2	113.3554	1.800	19	111.6194	3.164	432	111.8769	3.584	504	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:2:1:	3:4:2:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:O-2:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HO)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)2{1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	117.3360	0.000	1	117.3360	0.000	1	117.3360	0.000	1	117.3360	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<2>}	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:4:4:	3:4:4:4:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6](C[5]C[3,5]C[5])(C[6]C[6]CC)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	N[6](C[5]C[3,5]C[5])(C[6]C[6]CC)2{1|B<4>,1|B<5>,2|C<4>,7|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|H<1>,5|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|H<1>,5|C<4>}	117.7030	0.000	1	117.7030	0.000	1	117.7030	0.000	1	118.9595	3.158	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:4:4:	3:4:4:4:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<3>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	120.2160	0.000	1	120.2160	0.000	1	120.2160	0.000	1	118.9595	3.158	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	112.3750	0.813	2	111.9947	0.765	3	112.6143	2.707	13	112.4982	2.688	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	111.2340	0.000	1	111.9947	0.765	3	112.6143	2.707	13	112.4982	2.688	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	114.1180	0.000	1	113.9903	0.215	3	112.6143	2.707	13	112.4982	2.688	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	113.4760	0.000	1	113.9903	0.215	3	112.6143	2.707	13	112.4982	2.688	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	114.3770	0.000	1	113.9903	0.215	3	112.6143	2.707	13	112.4982	2.688	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<2>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<2>,1|C<4>,1|N<2>,4|H<1>}	113.3270	0.000	1	112.1210	2.909	2	112.6143	2.707	13	112.4982	2.688	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	110.9150	0.000	1	112.1210	2.909	2	112.6143	2.707	13	112.4982	2.688	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|O<2>,1|V<7>,2|C<3>,5|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	108.9340	0.000	1	111.4120	12.281	2	112.6143	2.707	13	112.4982	2.688	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	113.8900	0.000	1	111.4120	12.281	2	112.6143	2.707	13	112.4982	2.688	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[5a,6]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]N[5a,6]N[6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	112.1185	0.411	2	112.1185	0.169	2	112.6143	2.707	13	112.4982	2.688	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[6]O[6])(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]N[6]O[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	114.7280	0.000	1	114.7280	0.000	1	112.6143	2.707	13	112.4982	2.688	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6a]C[6])(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	112.4982	2.688	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:2:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	108.8400	0.089	2	108.8400	0.008	2	108.8400	0.008	2	108.8400	0.008	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	109.4310	0.000	1	109.4310	0.000	1	109.4310	0.000	1	109.4310	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:3:1:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	110.4437	0.688	6	110.4437	0.474	6	110.4437	0.474	6	110.4437	0.474	6	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:4:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|C<4>,2|H<1>,5|C<3>}	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[5]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	120.1850	0.000	1	120.1850	0.000	1	120.1850	0.000	1	113.9397	29.974	3	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6](C[6]C[6,6a]C[6a]O)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(N[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	109.9680	0.000	1	109.9680	0.000	1	110.8170	1.442	2	113.9397	29.974	3	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{2|H<1>,4|C<3>}	111.6660	0.000	1	111.6660	0.000	1	110.8170	1.442	2	113.9397	29.974	3	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:2:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|I<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,4|C<3>}	111.0800	0.000	1	111.4133	0.553	3	111.4133	0.553	3	111.4133	0.553	3	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:2:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,4|C<3>}	111.5800	0.969	2	111.4133	0.553	3	111.4133	0.553	3	111.4133	0.553	3	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:2:3:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	N[6]-3:O[6]-2:C-3:H-1:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(COO)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H){1|H<1>,1|O<2>,6|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(COO)(H){1|H<1>,5|C<3>}	111.1390	0.000	1	111.1390	0.000	1	111.1390	0.000	1	111.1390	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	111.7320	0.000	1	117.5520	16.852	12	117.5520	16.852	12	117.5520	16.852	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	112.4300	0.000	1	117.5520	16.852	12	117.5520	16.852	12	117.5520	16.852	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	120.6578	0.408	5	117.5520	16.852	12	117.5520	16.852	12	117.5520	16.852	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	111.7140	0.000	1	117.5520	16.852	12	117.5520	16.852	12	117.5520	16.852	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	119.8570	0.000	1	117.5520	16.852	12	117.5520	16.852	12	117.5520	16.852	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	117.2007	4.278	3	117.5520	16.852	12	117.5520	16.852	12	117.5520	16.852	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	109.3550	0.000	1	109.3550	0.000	1	113.6880	37.550	2	113.6880	37.550	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HO)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	118.0210	0.000	1	118.0210	0.000	1	113.6880	37.550	2	113.6880	37.550	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:4:3:1:	C[6]-4:C[6a]-3:C[6]-4:	C[5a]-3:N[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-3:H-1:	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,4|C<3>,6|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,4|C<3>}	115.6090	0.000	1	115.6090	0.000	1	115.6090	0.000	1	115.6090	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	116.4370	0.000	1	116.4370	0.000	1	116.3255	10.347	4	116.3255	10.347	4	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	111.7450	0.000	1	111.7450	0.000	1	116.3255	10.347	4	116.3255	10.347	4	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	118.5600	0.246	2	118.5600	0.061	2	116.3255	10.347	4	116.3255	10.347	4	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6,6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[6]C[6a]C[6])2(H)2{1|C<4>,4|C<3>,4|H<1>}	110.6540	2.365	2	110.6540	5.591	2	110.6540	5.591	2	110.6540	5.591	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	112.7360	0.000	1	112.7360	0.000	1	112.5715	0.054	2	114.7967	14.881	3	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	112.4070	0.000	1	112.4070	0.000	1	112.5715	0.054	2	114.7967	14.881	3	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	119.2470	0.000	1	119.2470	0.000	1	119.2470	0.000	1	114.7967	14.881	3	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	111.9410	0.000	1	111.9410	0.000	1	111.9410	0.000	1	111.9410	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:4:1:	C[6]-4:C[6a]-3:C[6]-4:	C[3,6]-4:N[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-4:H-1:	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6a]C[6])(CNO)(H)	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H)	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6a]C[6])(CNO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>,3|C<3>}	119.8170	0.000	1	119.8170	0.000	1	119.8170	0.000	1	119.8170	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:4:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|O<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	111.9120	0.000	2	111.9120	0.000	2	111.9120	0.000	2	111.9120	0.000	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:4:4:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-4:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){2|O<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	109.5040	0.000	2	109.5040	0.000	2	109.5040	0.000	2	109.5040	0.000	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	3:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)2(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]C[6a]H)2(O){7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|H<1>,3|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|H<1>,3|C<4>,6|C<3>}	116.7220	0.000	1	116.7220	0.000	1	116.7220	0.000	1	116.7220	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]H)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H){1|N<3>,5|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]H)(H)2{1|H<1>,5|C<3>}	112.3830	0.000	2	112.3830	0.000	2	112.3830	0.000	2	112.3830	0.000	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:4:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.3690	1.714	2	112.3690	2.938	2	112.3690	2.938	2	112.3690	2.938	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	120.6750	0.000	1	120.6750	0.000	1	120.6750	0.000	1	120.6750	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[5a]C[6]H)2(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6]H)2(H){1|C<4>,2|S<2>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	113.8770	0.000	1	113.8770	0.000	1	113.8770	0.000	1	113.9495	0.011	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	114.0220	0.000	1	114.0220	0.000	1	114.0220	0.000	1	113.9495	0.011	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.3765	2.297	2	111.1100	7.451	3	111.1100	7.451	3	111.1100	7.451	3	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,2|H<1>}	108.5770	0.000	1	111.1100	7.451	3	111.1100	7.451	3	111.1100	7.451	3	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6]2)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]CH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[5,6]C[6]2)(N[6]C[6]H)(COO)(H){2|C<3>,3|C<4>,5|H<1>}	115.6390	0.000	1	115.6390	0.000	1	115.6390	0.000	1	113.7934	3.047	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	115.6840	0.000	1	113.3320	2.644	4	113.3320	2.644	4	113.7934	3.047	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	112.2745	0.326	2	113.3320	2.644	4	113.3320	2.644	4	113.7934	3.047	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	113.0950	0.000	1	113.3320	2.644	4	113.3320	2.644	4	113.7934	3.047	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	3:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-3:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<2>,1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)2{1|C<2>,3|C<4>}	122.7540	0.000	1	122.7540	0.000	1	122.7540	0.000	1	122.7540	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:3:3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-3:C-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CHH)2	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CHH)2{1|H<1>,1|N<2>,3|C<4>}	124.7670	0.000	1	124.7670	0.000	1	124.7670	0.000	1	124.7670	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<2>,3|C<4>}	126.1450	0.000	1	126.1450	0.000	1	124.4243	0.643	86	124.4243	0.643	86	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2{2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2{2|O<2>,3|C<4>}	125.6540	0.049	2	124.6672	2.166	4	124.4243	0.643	86	124.4243	0.643	86	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2{2|S<4>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2{2|S<4>,3|C<4>}	123.6805	1.613	2	124.6672	2.166	4	124.4243	0.643	86	124.4243	0.643	86	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	123.8020	0.751	2	124.3911	0.561	81	124.4243	0.643	86	124.4243	0.643	86	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	124.4390	0.362	3	124.3911	0.561	81	124.4243	0.643	86	124.4243	0.643	86	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<2>,3|C<4>}	124.4744	0.681	9	124.3911	0.561	81	124.4243	0.643	86	124.4243	0.643	86	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	124.4631	0.962	21	124.3911	0.561	81	124.4243	0.643	86	124.4243	0.643	86	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<4>,3|C<4>}	124.6000	1.242	4	124.3911	0.561	81	124.4243	0.643	86	124.4243	0.643	86	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	124.3264	0.679	31	124.3911	0.561	81	124.4243	0.643	86	124.4243	0.643	86	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	124.3859	0.471	11	124.3911	0.561	81	124.4243	0.643	86	124.4243	0.643	86	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:2:1:1:	3:2:1:1:	C[6]-4:C[6]-4:O-2:	N[6]-3:C[6]-2:C-1:C-1:	N[6]-3:C[6]-2:C-1:C-1:	N[6](C[6]C[6]CC)2(OC)	C[6](N[6]C[6]O)(C[6]C[6])(C)2	C[6](N[6]C[6]O)(C[6]C[6])(C)2	N[6](C[6]C[6]CC)2(OC){1|C<2>}	C[6](N[6]C[6]O)(C[6]C[6])(C)2{1|C<2>,2|C<1>}	C[6](N[6]C[6]O)(C[6]C[6])(C)2{1|C<2>,2|C<1>}	119.9100	0.000	1	119.9100	0.000	1	119.9100	0.000	1	119.9100	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NN){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{2|C<3>,2|H<1>}	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:N-2:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(NO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(NO){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|N<2>,3|H<1>,4|C<3>}	124.4090	0.000	1	124.4090	0.000	1	124.4090	0.000	1	124.4090	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:N-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(NO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.9690	0.000	1	121.9690	0.000	1	122.2550	0.199	5	122.2550	0.199	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:N-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(NO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	121.6280	0.000	1	122.1330	0.510	2	122.2550	0.199	5	122.2550	0.199	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:N-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(NO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	122.6380	0.000	1	122.1330	0.510	2	122.2550	0.199	5	122.2550	0.199	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:N-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(NO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	122.3880	0.000	1	122.5200	0.035	2	122.2550	0.199	5	122.2550	0.199	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:N-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(NO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.6520	0.000	1	122.5200	0.035	2	122.2550	0.199	5	122.2550	0.199	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	117.4223	0.605	3	117.4223	0.367	3	117.4223	0.367	3	113.7133	6.850	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NC)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	114.2820	0.291	2	114.2820	0.085	2	113.0513	4.123	12	113.7133	6.850	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NC)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,2|H<1>}	112.2550	0.231	2	112.3083	0.035	3	113.0513	4.123	12	113.7133	6.850	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NC)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	112.4150	0.000	1	112.3083	0.035	3	113.0513	4.123	12	113.7133	6.850	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NC)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	111.3820	1.457	2	111.3820	2.122	2	113.0513	4.123	12	113.7133	6.850	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NN)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NN){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	115.9310	0.000	1	115.9310	0.000	1	113.0513	4.123	12	113.7133	6.850	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NNb[5])	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NNb[5]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	114.2560	0.000	1	114.2560	0.000	1	113.0513	4.123	12	113.7133	6.850	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NO)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	115.3580	0.000	1	115.3580	0.000	1	113.0513	4.123	12	113.7133	6.850	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NOs)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NOs){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	113.8950	0.000	1	113.8950	0.000	1	113.0513	4.123	12	113.7133	6.850	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NS)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NS){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	108.9230	0.000	1	108.9230	0.000	1	113.0513	4.123	12	113.7133	6.850	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a])	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	110.5300	0.000	1	110.5300	0.000	1	110.5300	0.000	1	113.7133	6.850	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(NO)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO){2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	122.3240	0.000	1	122.9828	0.263	5	122.9828	0.263	5	122.9828	0.263	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(NO)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO){2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	123.0880	0.567	2	122.9828	0.263	5	122.9828	0.263	5	122.9828	0.263	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(NO)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO){2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	123.5030	0.000	1	122.9828	0.263	5	122.9828	0.263	5	122.9828	0.263	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(NO)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO){2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	122.9110	0.000	1	122.9828	0.263	5	122.9828	0.263	5	122.9828	0.263	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:B-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(BN)	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	N[6](C[6]C[6]CC)2(BN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	120.5345	0.077	2	120.5345	0.006	2	120.5345	0.006	2	120.9969	7.909	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:C-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(CC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	N[6](C[6]C[6]CC)2(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	122.0850	0.709	2	122.0850	0.502	2	122.0850	0.502	2	120.9969	7.909	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	119.8080	0.328	4	119.8080	0.108	4	121.8882	10.450	6	120.9969	7.909	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OFe)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OFe){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	126.0730	0.000	1	126.0730	0.000	1	121.8882	10.450	6	120.9969	7.909	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OH)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	126.0240	0.000	1	126.0240	0.000	1	121.8882	10.450	6	120.9969	7.909	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:P-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(PN)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	N[6](C[6]C[6]CC)2(PN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	116.1310	0.000	1	116.1310	0.000	1	117.6975	4.908	2	120.9969	7.909	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:P-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(PP)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	N[6](C[6]C[6]CC)2(PP){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	119.2640	0.000	1	119.2640	0.000	1	117.6975	4.908	2	120.9969	7.909	12	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	112.5828	0.553	5	112.5828	0.305	5	112.5524	0.316	7	113.1609	5.295	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	112.4765	0.811	2	112.4765	0.658	2	112.5524	0.316	7	113.1609	5.295	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CCO)	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2	N[6](C[6]N[6]HH)2(CCO){1|C<4>,2|N<3>}	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	113.1520	0.000	1	113.1520	0.000	1	113.1520	0.000	1	113.1609	5.295	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C[6a]-3:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[5,6]HH)2(C[6a]C[6a]2)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2	N[6](C[6]N[5,6]HH)2(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	111.2715	1.498	2	111.2715	2.245	2	111.2715	2.245	2	113.1609	5.295	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C[6a]-3:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{2|C<3>,2|N<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{2|C<3>,2|N<3>,6|H<1>}	110.2820	0.000	1	110.2820	0.000	1	110.2820	0.000	1	113.1609	5.295	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:N-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]N)2(H)2{1|N<3>,4|H<1>}	115.8010	0.000	1	115.8010	0.000	1	116.8030	3.443	3	113.1609	5.295	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:N-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]N)2(H)2	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)2(NOO){1|C<4>,2|N<3>}	C[6](N[6]C[6]N)2(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]N)2(H)2{1|N<3>,4|H<1>}	117.3040	2.319	2	117.3040	5.379	2	116.8030	3.443	3	113.1609	5.295	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	113.5530	0.438	4	113.5530	0.191	4	114.5566	2.932	8	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CNO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CNO){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	117.6530	0.000	1	117.6530	0.000	1	114.5566	2.932	8	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	113.3640	0.000	1	115.0670	5.800	2	114.5566	2.932	8	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	116.7700	0.000	1	115.0670	5.800	2	114.5566	2.932	8	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	114.4540	0.000	1	114.4540	0.000	1	114.5566	2.932	8	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	116.2200	0.000	1	116.2200	0.000	1	115.2700	6.390	9	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	116.8200	0.000	1	116.8200	0.000	1	115.2700	6.390	9	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5]O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	118.0890	0.000	1	118.0890	0.000	1	115.2700	6.390	9	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5a]O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	114.7180	0.000	1	114.7180	0.000	1	115.2700	6.390	9	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[6]S){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	112.6270	0.000	1	112.6270	0.000	1	115.2700	6.390	9	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	114.9060	0.000	1	117.0290	9.014	2	115.2700	6.390	9	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	119.1520	0.000	1	117.0290	9.014	2	115.2700	6.390	9	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSS)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSS){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	113.3030	0.000	1	113.3030	0.000	1	115.2700	6.390	9	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	111.5950	0.000	1	111.5950	0.000	1	115.2700	6.390	9	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	N[6,6]-3:N[6]-3:H-1:H-1:	P[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6](P[6,6]C[6,6]C[6]Cu)(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Cu<4>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	C[6](P[6,6]C[6,6]C[6]Cu)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	115.8055	0.362	4	115.8055	0.131	4	115.7084	0.255	8	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	N[6,6]-3:N[6]-3:H-1:H-1:	P[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6](P[6,6]C[6,6]C[6]Mo)(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Mo<9>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	C[6](P[6,6]C[6,6]C[6]Mo)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	115.4605	0.261	2	115.4605	0.068	2	115.7084	0.255	8	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	N[6,6]-3:N[6]-3:H-1:H-1:	P[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6](P[6,6]C[6,6]C[6]Pt)(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Pt<4>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	C[6](P[6,6]C[6,6]C[6]Pt)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	115.7620	1.075	2	115.7620	1.155	2	115.7084	0.255	8	115.1820	3.285	25	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H){2|C<3>,2|H<1>}	118.1440	0.000	1	118.1440	0.000	1	118.7034	1.047	5	118.2820	1.903	6	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	118.1170	1.245	2	118.1170	1.549	2	118.7034	1.047	5	118.2820	1.903	6	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	119.5695	0.373	2	119.5695	0.139	2	118.7034	1.047	5	118.2820	1.903	6	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,3|H<1>}	116.1750	0.000	1	116.1750	0.000	1	116.1750	0.000	1	118.2820	1.903	6	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H){2|H<1>,4|C<3>}	116.2030	0.000	1	116.2030	0.000	1	115.6390	0.636	2	115.6390	0.636	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){1|F<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H){2|C<3>,2|H<1>}	115.0750	0.000	1	115.0750	0.000	1	115.6390	0.636	2	115.6390	0.636	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CC[5]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CC[5]O){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	119.7890	0.000	1	119.7890	0.000	1	119.7890	0.000	1	117.7028	9.802	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	114.6855	0.491	2	114.6855	0.242	2	115.6577	2.956	3	117.7028	9.802	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	117.6020	0.000	1	117.6020	0.000	1	115.6577	2.956	3	117.7028	9.802	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[5]O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	121.7520	0.000	1	121.7520	0.000	1	121.7520	0.000	1	117.7028	9.802	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:3:2:1:	C[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-2:H-1:	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6])(H)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<2>,1|N<2>,3|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6])(H){1|N<2>,3|H<1>,6|C<3>}	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:3:4:1:	C[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	119.2372	1.104	10	119.2372	1.218	10	119.2372	1.218	10	119.2372	1.218	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCC)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCC){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	119.3600	0.000	1	119.3600	0.000	1	117.7050	2.106	9	117.7696	1.914	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	117.4160	0.000	1	117.4933	2.563	6	117.7050	2.106	9	117.7696	1.914	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	117.5088	1.789	5	117.4933	2.563	6	117.7050	2.106	9	117.7696	1.914	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	117.5125	0.977	2	117.5125	0.954	2	117.7050	2.106	9	117.7696	1.914	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:S-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(SC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)2(SC[6a]O){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,3|H<1>,4|C<3>}	118.3510	0.000	1	118.3510	0.000	1	118.3510	0.000	1	117.7696	1.914	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(COO){1|N<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	120.3850	0.000	1	120.3850	0.000	1	120.3850	0.000	1	115.4866	11.055	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]C)(H)2{1|H<1>,5|C<3>}	114.3770	0.000	1	114.3770	0.000	1	115.6640	3.313	2	115.4866	11.055	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	116.9510	0.000	1	116.9510	0.000	1	115.6640	3.313	2	115.4866	11.055	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	114.0950	0.000	1	114.0950	0.000	1	114.0950	0.000	1	115.4866	11.055	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	111.6250	0.000	1	111.6250	0.000	1	111.6250	0.000	1	115.4866	11.055	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	117.2910	0.000	1	117.2910	0.000	1	117.2910	0.000	1	119.0280	2.170	4	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,4|C<3>}	120.1790	0.724	2	120.1790	0.524	2	120.1790	0.524	2	119.0280	2.170	4	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	118.4630	0.000	1	118.4630	0.000	1	118.4630	0.000	1	119.0280	2.170	4	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(COO)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H){1|H<1>,3|C<3>}	121.9010	0.000	1	121.9010	0.000	1	121.9010	0.000	1	121.9010	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:3:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{4|C<3>}	114.1360	0.000	1	114.1360	0.000	1	114.1360	0.000	1	114.1360	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	118.0110	0.000	1	118.0110	0.000	1	118.0110	0.000	1	118.0110	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	3:3:3:1:	C[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,7|C<3>}	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|C<4>,5|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	119.4800	1.156	4	119.4800	1.336	4	119.4800	1.336	4	119.4800	1.336	4	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCO)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	116.3940	0.000	1	116.3940	0.000	1	117.4117	1.191	3	115.0681	2.669	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	118.5640	0.000	1	118.5640	0.000	1	117.4117	1.191	3	115.0681	2.669	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO){1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	117.2770	0.000	1	117.2770	0.000	1	117.4117	1.191	3	115.0681	2.669	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	114.1945	0.223	2	114.1945	0.050	2	114.7471	1.001	8	115.0681	2.669	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	114.1385	0.227	2	114.1385	0.052	2	114.7471	1.001	8	115.0681	2.669	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	114.6800	0.000	1	114.6800	0.000	1	114.7471	1.001	8	115.0681	2.669	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	114.5480	0.000	1	114.5480	0.000	1	114.7471	1.001	8	115.0681	2.669	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	117.0810	0.000	1	117.0810	0.000	1	114.7471	1.001	8	115.0681	2.669	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	115.0020	0.000	1	115.0020	0.000	1	114.7471	1.001	8	115.0681	2.669	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	113.1130	0.231	2	113.1130	0.053	2	113.5803	0.682	3	115.0681	2.669	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	114.5150	0.000	1	114.5150	0.000	1	113.5803	0.682	3	115.0681	2.669	14	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:2:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-4:C-2:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|C<3>}	119.7260	2.128	2	119.7260	4.530	2	119.7260	4.530	2	118.5945	4.501	6	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:2:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|C<3>}	116.9790	3.118	2	116.9790	9.724	2	118.0288	4.711	4	118.5945	4.501	6	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:2:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|C<3>}	119.0785	0.026	2	119.0785	0.001	2	118.0288	4.711	4	118.5945	4.501	6	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|C<3>}	118.4070	0.000	1	118.4070	0.000	1	118.4070	0.000	1	118.4070	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-3:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]CC)(C[6]C[6]HH)(COO){1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<3>,3|C<4>}	115.2970	0.000	1	115.2970	0.000	1	115.2970	0.000	1	116.1395	1.420	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>}	116.9820	0.000	1	116.9820	0.000	1	116.9820	0.000	1	116.1395	1.420	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[4]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(C[4]C[4]2)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[4]C[4]2){1|Sn<5>,1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.0260	0.547	2	114.0260	0.300	2	114.0260	0.300	2	113.6228	2.362	11	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]C[5]2){1|B<4>,3|C<4>,7|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	112.8250	0.000	1	112.9213	0.275	3	113.5332	2.865	9	113.6228	2.362	11	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	113.4870	0.000	1	112.9213	0.275	3	113.5332	2.865	9	113.6228	2.362	11	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]C[5]2){1|Cl<1>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	112.4520	0.000	1	112.9213	0.275	3	113.5332	2.865	9	113.6228	2.362	11	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]C[5]2){1|Cl<1>,1|C<3>,1|N<3>,2|O<2>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	111.8060	1.748	2	111.8060	3.055	2	113.5332	2.865	9	113.6228	2.362	11	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(C[5]N[5]2)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]N[5]2){1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	115.4150	0.168	2	114.5737	2.138	3	113.5332	2.865	9	113.6228	2.362	11	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(C[5]N[5]2)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]N[5]2){1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	112.8910	0.000	1	114.5737	2.138	3	113.5332	2.865	9	113.6228	2.362	11	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(C[5]S[5]2)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]S[5]2){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|S<2>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|S<2>,4|H<1>}	115.7020	0.000	1	115.7020	0.000	1	113.5332	2.865	9	113.6228	2.362	11	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	118.1140	0.000	1	118.1140	0.000	1	118.1140	0.000	1	118.1140	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	116.3920	0.000	1	116.3920	0.000	1	116.3920	0.000	1	116.3920	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[5a]C[6]H)2(CCO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6]H)2(CCO){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.8300	0.000	1	116.8300	0.000	1	117.4073	0.251	3	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[5a]C[6]H)2(CCO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6]H)2(CCO){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	117.7210	0.000	1	117.7210	0.000	1	117.4073	0.251	3	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[5a]C[6]H)2(CC[6a]O)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6]H)2(CC[6a]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	117.6710	0.000	1	117.6710	0.000	1	117.4073	0.251	3	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.8154	0.483	7	119.7078	0.292	8	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	118.9540	0.000	1	119.7078	0.292	8	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	119.2140	0.000	1	119.0941	0.222	9	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.0653	0.540	7	119.0941	0.222	9	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	119.1760	0.000	1	119.0941	0.222	9	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	118.9750	0.000	1	119.6968	1.056	18	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.4199	0.394	14	119.6968	1.056	18	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	121.2297	1.910	3	119.6968	1.056	18	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO){4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	118.7730	0.140	2	118.7730	0.020	2	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CC[3]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[3]O){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.9285	0.237	2	119.9285	0.056	2	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.3180	0.000	1	120.3180	0.000	1	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.8080	0.000	1	119.8080	0.000	1	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CHO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CHO){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.5670	0.361	2	121.5670	0.130	2	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CHO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CHO){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.0750	0.000	1	121.0750	0.000	1	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CHO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CHO){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.8350	0.390	3	120.8350	0.152	3	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CNO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CNO){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.3070	0.000	1	120.3070	0.000	1	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(COO){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	119.4790	0.000	1	119.4790	0.000	1	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(COO){4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.9660	0.000	1	121.9660	0.000	1	119.8009	0.930	50	119.6654	1.198	53	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	117.8340	0.000	1	117.5955	0.114	2	117.1172	1.235	9	117.1172	1.235	9	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	117.3570	0.000	1	117.5955	0.114	2	117.1172	1.235	9	117.1172	1.235	9	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	117.5700	0.000	1	117.5700	0.000	1	117.1172	1.235	9	117.1172	1.235	9	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	115.8560	0.468	2	115.8560	0.219	2	117.1172	1.235	9	117.1172	1.235	9	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	118.6410	0.000	1	118.6410	0.000	1	117.1172	1.235	9	117.1172	1.235	9	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	117.7185	0.241	2	117.7185	0.058	2	117.1172	1.235	9	117.1172	1.235	9	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	115.5040	0.000	1	115.5040	0.000	1	117.1172	1.235	9	117.1172	1.235	9	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)(H){1|C<4>,3|C<3>,3|H<1>}	113.8410	0.000	1	113.8410	0.000	1	116.1655	10.807	2	116.1655	10.807	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	118.4900	0.000	1	118.4900	0.000	1	116.1655	10.807	2	116.1655	10.807	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	119.3915	1.429	2	119.3915	2.042	2	120.1507	2.750	3	120.1507	2.750	3	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.6690	0.000	1	121.6690	0.000	1	120.1507	2.750	3	120.1507	2.750	3	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[6]-4:C[6]-4:C[4]-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	N[6](C[6]C[6]CH)2(C[4]N[4]2)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(C[4]N[4]2){1|In<4>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H){2|C<4>,2|N<3>,3|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H){2|C<4>,2|N<3>,3|H<1>}	119.9360	0.000	1	119.9360	0.000	1	119.9360	0.000	1	119.9360	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:4:4:4:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(C[5]O[5]2)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	N[6](C[6]C[6]CC)2(C[5]O[5]2){1|B<4>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|H<1>,2|O<2>,3|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|H<1>,2|O<2>,3|C<4>}	123.4950	0.000	1	123.4950	0.000	1	123.4950	0.000	1	123.4950	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:2:4:4:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:C-4:C-4:	N[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(O[6]C[6])(CH3)2	N[6](C[6]C[6]HH)(C[6]O[6]CC)(COO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](N[6]C[6]C)(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	114.0850	0.000	1	114.0850	0.000	1	114.0850	0.000	1	114.0850	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	113.9575	0.480	2	113.9575	0.231	2	113.2835	1.610	4	113.9837	3.158	9	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]O)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	113.7890	0.000	1	113.7890	0.000	1	113.2835	1.610	4	113.9837	3.158	9	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6]O)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	111.4300	0.000	1	111.4300	0.000	1	113.2835	1.610	4	113.9837	3.158	9	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	114.6250	0.000	1	114.6250	0.000	1	115.8703	1.738	3	113.9837	3.158	9	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|P<4>,2|H<1>}	117.2510	0.000	1	117.2510	0.000	1	115.8703	1.738	3	113.9837	3.158	9	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.7350	0.000	1	115.7350	0.000	1	115.8703	1.738	3	113.9837	3.158	9	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCO)	C[6](C[6]C[6]OO)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCO){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	112.5540	0.482	2	112.5540	0.233	2	112.5540	0.233	2	113.9837	3.158	9	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	116.9810	0.000	1	116.9810	0.000	1	116.9810	0.000	1	116.9810	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:B-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(BC[6a]2)	C[6](C[6]C[6]HH)(N[6]C[6]B)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]B)(H)2	N[6](C[6]C[6]HH)2(BC[6a]2){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(H)2{1|C<4>,4|H<1>}	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[3x6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CCO)	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6]C)(H)2	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CCO){5|C<4>}	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6]C)(H)2{5|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	115.5680	0.000	1	115.5680	0.000	1	115.5680	0.000	1	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6,6]HH)2(CCO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)2(CCO){1|C<4>,2|C<3>,2|O<2>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|H<1>,4|C<4>}	114.8155	0.397	2	114.7364	0.068	5	114.9480	0.186	7	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6,6]HH)2(CCO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)2(CCO){1|C<4>,2|C<3>,2|O<2>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	114.9250	0.000	1	114.7364	0.068	5	114.9480	0.186	7	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6,6]HH)2(CCO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)2(CCO){1|C<4>,2|C<3>,2|O<2>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	114.5630	0.078	2	114.7364	0.068	5	114.9480	0.186	7	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	115.6490	0.000	1	115.6490	0.000	1	114.9480	0.186	7	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6,6]HH)2(COO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)2(COO){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	115.3050	0.000	1	115.3050	0.000	1	114.9480	0.186	7	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)2(CCO)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)2(CCO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	121.3770	0.000	1	121.3770	0.000	1	121.3770	0.000	1	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	113.0180	0.000	1	113.0180	0.000	1	114.4863	3.764	6	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	112.7430	0.000	1	113.4770	1.078	2	114.4863	3.764	6	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	114.2110	0.000	1	113.4770	1.078	2	114.4863	3.764	6	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	118.1480	0.000	1	115.6487	4.748	3	114.4863	3.764	6	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	114.3990	0.355	2	115.6487	4.748	3	114.4863	3.764	6	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	114.9310	1.069	2	115.1608	0.630	5	115.2072	0.517	6	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|O<2>,4|H<1>}	115.4250	1.062	2	115.1608	0.630	5	115.2072	0.517	6	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	115.0920	0.000	1	115.1608	0.630	5	115.2072	0.517	6	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(COO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(COO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	115.4390	0.000	1	115.4390	0.000	1	115.2072	0.517	6	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.8840	0.818	3	113.8840	0.669	3	113.8225	0.461	4	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	113.6380	0.000	1	113.6380	0.000	1	113.8225	0.461	4	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CBrC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CBrC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.0620	0.000	1	113.0620	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CBrC)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CBrC){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.8790	0.000	1	112.8790	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	111.0560	1.968	5	111.0560	3.873	5	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCC)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCC){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.1620	0.000	1	110.1620	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCC)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCC){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	111.5181	1.170	8	111.5181	1.369	8	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.2290	0.000	2	113.2290	0.000	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.4327	0.965	3	112.4327	0.931	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.2950	0.757	6	112.2950	0.573	6	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.8590	0.000	1	111.3515	0.485	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	111.8440	0.000	1	111.3515	0.485	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	113.2428	0.687	6	113.2428	0.471	6	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO){2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	111.7120	0.914	2	111.7120	0.835	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.4630	0.000	1	110.4630	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	113.4312	0.659	5	113.5820	0.791	60	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	113.2790	1.424	6	113.5820	0.791	60	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	113.4735	0.170	2	113.5820	0.791	60	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.6710	0.890	40	113.5820	0.791	60	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	113.4719	0.683	7	113.5820	0.791	60	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.5430	0.000	1	113.0460	0.506	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	113.5490	0.000	1	113.0460	0.506	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.8243	1.014	24	112.6227	0.870	38	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	112.2771	0.675	14	112.6227	0.870	38	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.6688	0.798	40	112.6688	0.637	40	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	114.6920	0.000	1	114.6920	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	111.4205	0.132	2	111.4205	0.017	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCS){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.6490	0.462	2	111.6750	0.109	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCS){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	111.7270	0.000	1	111.6750	0.109	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCS){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.3501	1.040	9	112.3501	1.082	9	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCS)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCS){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	115.3120	0.000	1	115.3120	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCW)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCW){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.9000	0.372	2	110.9000	0.138	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[3]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[3]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.2430	0.000	1	112.2430	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[3]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[3]O){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.3950	0.043	3	112.3950	0.002	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5,5,6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5,5,6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	111.9010	0.000	1	111.9010	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]C){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	111.4610	0.372	2	111.4610	0.138	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	115.1350	0.000	1	115.1350	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.6967	0.473	6	113.6967	0.223	6	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]O){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.4053	0.515	3	112.4053	0.265	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]S)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]S){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.7583	0.742	4	112.7583	0.550	4	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]S)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]S){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.1730	0.000	1	112.1730	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]N){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	111.8546	0.818	23	111.5738	0.816	32	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]N){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	110.8563	0.719	9	111.5738	0.816	32	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]N)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]N){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.2930	0.000	1	112.2930	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]O){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	112.4610	0.000	1	113.0485	0.690	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	113.6360	0.000	1	113.0485	0.690	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	113.2694	0.437	7	113.2694	0.191	7	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]O){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.7695	1.286	2	112.7695	1.654	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]C){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.6285	2.063	2	113.6285	4.254	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.8390	0.000	1	113.8390	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.7829	1.354	8	112.7829	1.834	8	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.8920	1.643	3	112.6100	3.862	4	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]O){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	114.7640	0.000	1	112.6100	3.862	4	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]O){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	111.4480	1.825	3	111.4480	3.332	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]S)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]S){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	111.6750	0.000	1	111.6750	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]C){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	111.5700	0.000	1	111.0720	0.496	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]C){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	110.5740	0.000	1	111.0720	0.496	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]C)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]C){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	111.3985	0.892	2	111.3985	0.795	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	111.5823	0.767	4	111.3546	0.300	11	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	111.1440	0.092	4	111.3546	0.300	11	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	111.7910	0.000	1	111.3546	0.300	11	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	111.1025	0.713	2	111.3546	0.300	11	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]N)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	111.4820	0.766	3	111.4820	0.587	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N[6]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.7845	0.579	4	113.7845	0.335	4	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N[6]){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.8925	0.835	2	112.4645	0.684	4	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N[6]){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	113.0365	0.213	2	112.4645	0.684	4	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	113.3143	0.711	4	113.3143	0.506	4	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	113.1720	0.000	1	113.1720	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	114.5995	0.685	2	113.4737	0.488	19	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	112.9030	0.357	3	113.4737	0.488	19	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.5216	0.624	8	113.4737	0.488	19	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|F<1>,2|C<4>,2|H<1>}	112.9400	0.000	1	113.4737	0.488	19	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	113.3960	0.609	5	113.4737	0.488	19	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	113.1705	0.624	33	113.2115	0.513	38	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	113.4985	1.424	4	113.2115	0.513	38	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	113.4170	0.000	1	113.2115	0.513	38	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	113.5427	0.985	13	113.5427	0.970	13	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]S)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]S){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.2850	0.200	3	112.2850	0.040	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]S)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]S){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	111.2125	0.045	2	111.2125	0.002	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCrC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCrC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.9465	0.528	2	110.9465	0.279	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CHN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	115.1288	0.188	5	115.1288	0.035	5	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CHN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHN){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	114.8563	0.592	4	114.8563	0.351	4	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CHO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	113.9797	0.710	3	113.9797	0.504	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.2745	1.056	19	113.2745	1.115	19	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNN){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.2410	0.000	1	110.2410	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.6166	1.255	11	112.6166	1.575	11	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	112.6780	0.081	2	113.3207	0.720	11	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.5179	0.975	7	113.3207	0.720	11	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	113.2735	0.614	2	113.3207	0.720	11	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.6693	0.952	4	112.1130	1.030	8	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	111.8195	1.175	2	112.1130	1.030	8	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	111.2940	0.600	2	112.1130	1.030	8	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	113.0677	0.505	9	113.0677	0.255	9	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNP)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNP){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.8170	0.000	1	112.8170	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.9322	1.752	13	112.8686	2.716	15	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	112.4555	0.906	2	112.8686	2.716	15	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.6890	0.000	1	111.5128	0.930	5	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	111.2188	0.815	4	111.5128	0.930	5	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	111.6130	0.895	23	111.6130	0.800	23	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.2020	0.000	1	112.2020	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5]N)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5]N){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	113.5720	0.000	1	113.5720	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5]O)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5]O){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	113.4960	0.000	1	113.4960	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	115.6160	0.000	1	115.6160	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]O){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.4990	0.150	4	112.4990	0.023	4	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]S)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]S){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.9250	0.000	1	110.9250	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]C){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.5815	0.197	2	112.5815	0.039	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	115.9620	0.000	1	115.9620	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[6]N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]N){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.3494	1.370	5	113.3494	1.876	5	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[6]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]O){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	113.5107	0.220	3	113.5107	0.048	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[6]P)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]P){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.2933	0.768	6	113.2933	0.589	6	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	114.5670	0.373	2	114.5670	0.139	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	114.9200	0.000	1	114.9200	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	114.6420	0.000	1	114.9497	0.205	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.1035	0.517	2	114.9497	0.205	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	114.6600	0.000	1	114.6600	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	115.1900	0.000	1	115.1900	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	114.8630	0.000	1	114.8630	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	114.4205	0.124	2	114.4205	0.015	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	114.9355	0.429	2	114.4340	0.538	20	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	114.6933	0.602	3	114.4340	0.538	20	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	114.3287	0.241	3	114.4340	0.538	20	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,3|H<1>}	113.6280	0.000	1	114.4340	0.538	20	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	114.4590	0.000	1	114.4340	0.538	20	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	113.8010	1.395	3	114.4340	0.538	20	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	114.1677	0.290	3	114.4340	0.538	20	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	114.9375	0.663	4	114.4340	0.538	20	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.9315	0.206	2	113.5707	1.247	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	114.8490	0.000	1	113.5707	1.247	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	115.2140	0.000	1	115.2140	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.2380	0.000	1	113.2380	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	113.9189	0.597	10	113.7021	0.324	23	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	113.9580	0.000	1	113.7021	0.324	23	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	114.1010	0.000	1	113.7021	0.324	23	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	113.4239	0.521	10	113.7021	0.324	23	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.6620	0.000	1	113.7021	0.324	23	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	113.1610	0.000	1	113.1610	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.6720	0.000	1	112.6720	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	115.7330	0.000	1	115.7330	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CPdN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CPdN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	111.3160	0.000	1	111.3160	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CPdN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CPdN){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	110.3580	0.000	1	110.3580	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CPdO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CPdO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	114.4360	0.000	1	114.4360	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CRuC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CRuC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	114.0846	2.196	5	114.0846	4.820	5	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.6128	0.828	23	112.8065	1.042	31	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	113.3634	1.353	8	112.8065	1.042	31	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSS){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.9262	1.564	10	112.8025	2.587	15	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSS){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	112.5552	1.854	5	112.8025	2.587	15	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSS){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.7031	1.024	20	112.7031	1.049	20	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CSeC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSeC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.8590	0.000	1	112.8590	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CSeN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSeN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.0740	0.612	2	111.9533	0.231	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CSeN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSeN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	111.7120	0.000	1	111.9533	0.231	3	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CTiC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CTiC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.0615	0.995	2	113.0615	0.990	2	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CZrC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CZrC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	111.4330	0.000	1	111.4330	0.000	1	112.8856	1.597	673	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	Si[6]-4:N[6]-3:H-1:H-1:	Si[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]Si[6]HH)2(CCO)	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]Si[6]HH)2(CCO){1|O<2>,4|C<4>}	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2{1|Si<4>,2|H<1>}	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2{1|Si<4>,2|H<1>}	115.4530	0.000	1	115.4530	0.000	1	114.7700	0.264	4	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	Si[6]-4:N[6]-3:H-1:H-1:	Si[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]Si[6]HH)2(CC[5]O)	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]Si[6]HH)2(CC[5]O){1|O<2>,4|C<4>}	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2{1|Si<4>,2|H<1>}	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2{1|Si<4>,2|H<1>}	114.5423	0.291	3	114.5423	0.085	3	114.7700	0.264	4	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.8410	0.626	2	112.5280	1.612	3	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	113.9020	0.000	1	112.5280	1.612	3	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,2|H<1>}	112.3440	0.000	1	114.2053	1.693	6	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	112.7820	0.000	1	114.2053	1.693	6	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	115.0270	0.371	3	114.2053	1.693	6	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<4>,2|C<3>,6|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	115.0250	0.000	1	114.2053	1.693	6	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{2|H<1>,3|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{2|H<1>,3|C<4>}	109.3610	0.000	1	110.8183	3.839	4	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	112.3970	0.000	1	110.8183	3.839	4	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	112.6140	0.000	1	110.8183	3.839	4	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,2|H<1>}	108.9010	0.000	1	110.8183	3.839	4	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]S[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|S<2>,2|C<3>,6|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	112.6255	0.045	2	112.6255	0.002	2	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Se<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	116.3445	0.558	2	116.3445	0.311	2	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,2|N<2>,3|H<1>}	112.9720	0.000	1	113.2322	0.482	5	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|N<2>,4|H<1>}	113.7655	0.524	2	113.2322	0.482	5	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	112.8290	0.832	2	113.2322	0.482	5	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<3>,1|N<3>,1|P<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<4>,2|H<1>,2|N<2>}	114.2240	0.000	1	112.9970	1.809	3	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,1|S<4>,2|H<1>}	113.2080	0.000	1	112.9970	1.809	3	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|N<4>,2|C<3>,5|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	111.5590	0.000	1	112.9970	1.809	3	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,2|N<2>}	113.8423	0.687	7	113.8423	0.472	7	113.3149	2.743	32	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(POO)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(POO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{2|C<4>,2|H<1>}	112.8660	0.000	1	112.8660	0.000	1	112.8660	0.000	1	112.9837	1.850	736	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	116.9473	0.618	3	116.9473	0.382	3	115.2865	3.153	10	115.2865	3.153	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[5]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[5]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	117.1960	0.000	1	117.1960	0.000	1	115.2865	3.153	10	115.2865	3.153	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(COO)(H){1|C<4>,4|H<1>}	113.7230	0.000	1	113.7230	0.000	1	115.2865	3.153	10	115.2865	3.153	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	113.6338	0.474	4	113.6338	0.224	4	115.2865	3.153	10	115.2865	3.153	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CNO)(H){1|O<2>,2|C<4>,2|H<1>}	116.5690	0.000	1	116.5690	0.000	1	115.2865	3.153	10	115.2865	3.153	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[6a]2C[6])(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]2C[6])(N[6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	117.0730	0.000	1	117.0730	0.000	1	115.9340	2.595	2	115.9340	2.595	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,3|H<1>}	114.7950	0.000	1	114.7950	0.000	1	115.9340	2.595	2	115.9340	2.595	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>}	112.4670	0.000	1	112.8195	0.249	2	112.8195	0.249	2	112.8195	0.249	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|W<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,3|H<1>}	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|H<1>}	113.1720	0.000	1	112.8195	0.249	2	112.8195	0.249	2	112.8195	0.249	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:2:1:	4:3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-2:H-1:	N[6](C[6]C[6]HO)2(CHO)	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H)	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H)	N[6](C[6]C[6]HO)2(CHO){1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	119.6870	0.129	2	119.6870	0.017	2	119.6870	0.017	2	119.6870	0.017	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	3:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	121.4870	0.000	1	121.4870	0.000	1	121.4870	0.000	1	121.4870	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	123.8610	0.000	1	123.8610	0.000	1	123.8610	0.000	1	119.0920	8.208	6	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	120.0740	0.000	2	120.0740	0.000	2	120.0740	0.000	2	119.0920	8.208	6	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	116.1860	0.000	1	116.9560	1.186	2	116.9560	1.186	2	119.0920	8.208	6	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	117.7260	0.000	1	116.9560	1.186	2	116.9560	1.186	2	119.0920	8.208	6	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	116.6310	0.000	1	116.6310	0.000	1	116.6310	0.000	1	119.0920	8.208	6	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CCO){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|S<2>,4|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|S<2>,4|C<3>,6|H<1>}	121.8560	0.000	1	122.9003	1.084	3	122.2040	2.662	4	122.2040	2.662	4	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CCO){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	123.4225	0.729	2	122.9003	1.084	3	122.2040	2.662	4	122.2040	2.662	4	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CC[6a]O){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|S<2>,4|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|S<2>,4|C<3>,6|H<1>}	120.1150	0.000	1	120.1150	0.000	1	122.2040	2.662	4	122.2040	2.662	4	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	119.0450	0.000	1	119.0450	0.000	1	119.0450	0.000	1	119.0450	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)2(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){2|C<4>,2|H<1>}	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[3x6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CC[6a]O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	115.9290	0.000	1	115.9290	0.000	1	115.9290	0.000	1	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	118.5240	0.000	1	118.5240	0.000	1	118.5240	0.000	1	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	117.2890	0.000	1	117.2890	0.000	1	117.2890	0.000	1	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(CCHH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	115.4010	0.000	1	115.4010	0.000	1	115.4010	0.000	1	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	118.4720	0.000	1	118.4720	0.000	1	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	115.6540	0.795	2	115.6540	0.632	2	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[5]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	115.0360	0.000	1	115.0360	0.000	1	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	115.5730	0.000	1	115.5730	0.000	1	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	114.8840	0.000	1	114.8840	0.000	1	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	114.9780	0.000	1	114.9780	0.000	1	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	115.7990	0.000	1	115.7990	0.000	1	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	113.9880	0.000	1	113.9880	0.000	1	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	113.8220	0.276	2	113.8220	0.076	2	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	116.1950	0.000	2	116.1950	0.000	2	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	116.2020	0.000	1	116.2020	0.000	1	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	116.1490	0.000	1	116.1490	0.000	1	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	116.0160	0.000	1	116.0160	0.000	1	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	116.0520	0.000	1	116.0520	0.000	1	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	117.2910	0.000	1	117.2910	0.000	1	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|Mo<8>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	117.6570	0.000	1	117.6570	0.000	1	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	116.3620	0.000	1	116.3620	0.000	1	115.7900	1.465	20	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:P-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(POO)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CCCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(POO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{2|C<4>,3|H<1>}	114.4410	0.000	1	114.4410	0.000	1	114.4555	0.000	2	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:P-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(POO)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(POO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{2|C<4>,3|H<1>}	114.4700	0.000	1	114.4700	0.000	1	114.4555	0.000	2	115.8406	1.649	26	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)2(CC[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHH)(H)	N[6](C[6]C[6]CH)2(CC[6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHH)(H){2|C<4>,3|H<1>}	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	119.7090	0.104	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:P-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|P<4>,2|C<4>,2|H<1>}	119.9370	0.000	1	119.9370	0.000	1	119.9370	0.000	1	119.7090	0.104	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:C-2:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	118.4220	0.000	1	118.4220	0.000	1	119.1050	0.933	2	119.1050	0.933	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:C-2:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	119.7880	0.000	1	119.7880	0.000	1	119.1050	0.933	2	119.1050	0.933	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(CNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	118.2230	0.000	1	118.2230	0.000	1	119.5033	1.893	7	119.5033	1.893	7	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(CNS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	118.1325	0.708	2	118.1325	0.501	2	119.5033	1.893	7	119.5033	1.893	7	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	120.5170	0.000	1	120.5170	0.000	1	119.5033	1.893	7	119.5033	1.893	7	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)2(COO){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	121.2440	0.000	1	121.2440	0.000	1	119.5033	1.893	7	119.5033	1.893	7	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)2(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	120.6850	0.000	1	120.6850	0.000	1	119.5033	1.893	7	119.5033	1.893	7	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(COO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	119.5890	0.000	1	119.5890	0.000	1	119.5033	1.893	7	119.5033	1.893	7	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:B-3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(BClN)	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	N[6](C[6]C[6]CC)2(BClN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	118.6590	0.000	1	118.6590	0.000	1	118.6900	0.183	3	119.2045	0.956	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:B-3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(BNO)	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	N[6](C[6]C[6]CC)2(BNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	119.1330	0.000	1	119.1330	0.000	1	118.6900	0.183	3	119.2045	0.956	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:B-3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(BN[6]As)	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	N[6](C[6]C[6]CC)2(BN[6]As){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	118.2780	0.000	1	118.2780	0.000	1	118.6900	0.183	3	119.2045	0.956	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(CCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	N[6](C[6]C[6]CC)2(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	118.8040	0.458	4	118.8040	0.209	4	119.3704	1.761	5	119.2045	0.956	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	N[6](C[6]C[6]CC)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	121.6360	0.000	1	121.6360	0.000	1	119.3704	1.761	5	119.2045	0.956	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:P-3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(POO)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	N[6](C[6]C[6]CC)2(POO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	119.5615	0.060	2	119.5615	0.004	2	119.5615	0.004	2	119.2045	0.956	10	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H){2|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>,2|O<2>}	115.4165	0.128	2	115.4165	0.016	2	115.4165	0.016	2	116.1703	1.713	3	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]2H)(C[6]C[6]HO)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	117.6780	0.000	1	117.6780	0.000	1	117.6780	0.000	1	116.1703	1.713	3	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	4:3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-2:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HO)(COO)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HO)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	118.6310	0.000	1	118.6310	0.000	1	118.6310	0.000	1	118.6310	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|S<2>,2|H<1>}	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	118.5430	0.000	1	118.5430	0.000	1	118.5430	0.000	1	118.5430	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2{1|H<1>,2|C<4>,3|C<3>}	115.8680	0.000	1	115.8680	0.000	1	115.8680	0.000	1	117.2025	3.562	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[4,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[4,6]HH)(SC[6a]OO)	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[4,6]HH)(SC[6a]OO){5|C<3>}	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	118.5370	0.000	1	118.5370	0.000	1	118.5370	0.000	1	117.2025	3.562	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(SCOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(SCOO){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	115.2000	0.000	1	115.2000	0.000	1	115.2000	0.000	1	115.2000	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCC)(H){1|H<1>,1|O<2>,2|C<3>}	117.5540	0.000	1	117.5540	0.000	1	117.5540	0.000	1	117.5540	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H){1|H<1>,3|C<3>}	121.1360	0.000	1	121.1360	0.000	1	121.1360	0.000	1	121.1360	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SCOO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SCOO){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,3|C<4>}	120.3220	0.000	1	120.3220	0.000	1	120.3220	0.000	1	119.1050	2.962	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:C-4:H-1:	C[4,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[4,6]C[6a])(N[6]C[6]S)(CCHH)(H)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){3|C<3>}	C[6](C[6]C[4,6]C[6a])(N[6]C[6]S)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	117.8880	0.000	1	117.8880	0.000	1	117.8880	0.000	1	119.1050	2.962	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	P[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2{1|N<3>,1|P<4>,2|C<4>,4|H<1>}	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>,2|N<3>}	111.4673	0.944	3	111.4673	0.891	3	111.8584	0.499	8	111.8584	0.499	8	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	P[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2{1|O<2>,1|P<4>,2|C<4>,4|H<1>}	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2{1|Cu<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2{1|Cu<3>,1|C<4>,2|H<1>,2|N<3>}	112.5980	0.000	1	112.3775	0.097	2	111.8584	0.499	8	111.8584	0.499	8	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	P[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2{1|O<2>,1|P<4>,2|C<4>,4|H<1>}	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2{1|Cu<4>,1|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2{1|Cu<4>,1|C<4>,2|H<1>,2|N<3>}	112.1570	0.000	1	112.3775	0.097	2	111.8584	0.499	8	111.8584	0.499	8	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	P[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](P[4]N[4]2Se)(C[6]C[6]HH)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	N[6](P[4]N[4]2Se)(C[6]C[6]HH)2{1|N<4>,1|P<4>,2|C<4>,4|H<1>}	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Se<1>,2|H<1>,2|N<3>,3|C<4>}	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Se<1>,2|H<1>,2|N<3>,3|C<4>}	111.9033	0.554	3	111.9033	0.307	3	111.8584	0.499	8	111.8584	0.499	8	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.5250	0.000	1	118.5250	0.000	1	118.5250	0.000	1	118.5250	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	117.3040	0.000	1	117.3040	0.000	1	116.7908	0.674	5	116.7908	0.674	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	116.0390	0.000	1	116.0390	0.000	1	116.7908	0.674	5	116.7908	0.674	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	117.5980	0.000	1	116.8703	0.923	3	116.7908	0.674	5	116.7908	0.674	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	117.2320	0.000	1	116.8703	0.923	3	116.7908	0.674	5	116.7908	0.674	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	115.7810	0.000	1	116.8703	0.923	3	116.7908	0.674	5	116.7908	0.674	5	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	118.4190	0.000	1	118.4190	0.000	1	120.0195	5.123	2	120.0195	5.123	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	121.6200	0.000	1	121.6200	0.000	1	120.0195	5.123	2	120.0195	5.123	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCeNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCeNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	114.1200	0.089	2	114.1200	0.008	2	114.1200	0.008	2	112.9759	2.334	28	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PC[5]ClPt)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[5]ClPt){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	111.8320	0.000	1	111.8320	0.000	1	112.4127	1.031	19	112.9759	2.334	28	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PC[6a]2C)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]2C){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	113.8490	0.000	1	113.8490	0.000	1	112.4127	1.031	19	112.9759	2.334	28	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PNOO)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PNOO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	113.4017	0.470	4	113.4017	0.221	4	112.4127	1.031	19	112.9759	2.334	28	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN[6]MoC)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]MoC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	112.3130	0.000	1	112.3130	0.000	1	112.4127	1.031	19	112.9759	2.334	28	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN[6]MoC)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]MoC){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	110.4390	0.000	1	110.4390	0.000	1	112.4127	1.031	19	112.9759	2.334	28	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN[6]NN)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	112.3570	0.000	1	112.3570	0.000	1	112.4127	1.031	19	112.9759	2.334	28	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN[6]NO)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	111.6684	0.493	7	111.6684	0.243	7	112.4127	1.031	19	112.9759	2.334	28	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN[6]PdO)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]PdO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	113.2260	0.451	2	113.2260	0.204	2	112.4127	1.031	19	112.9759	2.334	28	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PPdOO)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PPdOO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	113.3140	0.000	1	113.3140	0.000	1	112.4127	1.031	19	112.9759	2.334	28	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	112.5670	0.000	1	112.5670	0.000	1	112.5670	0.000	1	112.9759	2.334	28	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(SCOO)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)2(SCOO){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,1|S<4>,4|H<1>}	116.2450	0.452	3	116.2450	0.204	3	116.2450	0.204	3	112.9759	2.334	28	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6]OO)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6]OO){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	112.7900	0.000	1	112.7900	0.000	1	113.2755	0.471	2	112.9759	2.334	28	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	113.7610	0.000	1	113.7610	0.000	1	113.2755	0.471	2	112.9759	2.334	28	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	P-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	111.3910	0.000	1	111.3910	0.000	1	111.3910	0.000	1	112.9759	2.334	28	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(COO)(H)	C[6](C[6]N[6]O)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	116.4220	0.000	1	116.4220	0.000	1	116.4220	0.000	1	116.4220	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.7700	0.000	1	116.8145	2.182	2	116.8145	2.182	2	116.5788	0.759	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	117.8590	0.000	1	116.8145	2.182	2	116.8145	2.182	2	116.5788	0.759	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2{4|C<4>,7|H<1>}	115.2700	0.000	1	115.2700	0.000	1	115.2700	0.000	1	116.5788	0.759	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	116.2660	0.000	1	116.2660	0.000	1	116.6432	0.611	13	116.5788	0.759	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CClHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(CClHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|H<1>,1|S<4>,2|C<4>}	117.0780	0.000	1	117.0780	0.000	1	116.6432	0.611	13	116.5788	0.759	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	117.5350	0.000	1	117.5350	0.000	1	116.6432	0.611	13	116.5788	0.759	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	116.3190	0.000	1	116.3190	0.000	1	116.6432	0.611	13	116.5788	0.759	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	116.7470	0.000	1	116.7470	0.000	1	116.6432	0.611	13	116.5788	0.759	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|Si<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	116.2200	0.000	1	116.2200	0.000	1	116.6432	0.611	13	116.5788	0.759	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	115.9670	0.000	1	115.9670	0.000	1	116.6432	0.611	13	116.5788	0.759	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	115.8280	0.000	1	115.8280	0.000	1	116.6432	0.611	13	116.5788	0.759	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	117.5910	0.000	1	117.5910	0.000	1	116.6432	0.611	13	116.5788	0.759	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HO)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	116.6065	0.264	2	116.6065	0.070	2	116.6432	0.611	13	116.5788	0.759	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	118.1710	0.000	1	118.1710	0.000	1	116.6432	0.611	13	116.5788	0.759	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	115.4270	0.000	1	115.4270	0.000	1	116.6432	0.611	13	116.5788	0.759	16	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:3:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)2(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)2(SC[6a]OO){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|H<1>,1|O<1>,2|C<4>}	122.2880	0.000	1	122.2880	0.000	1	122.2880	0.000	1	121.2050	2.346	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:3:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:N-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H){2|C<4>,3|H<1>}	120.1220	0.000	1	120.1220	0.000	1	120.1220	0.000	1	121.2050	2.346	2	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(CSnNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(CSnNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:Si-4:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(SiC[5]2Fe)	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2	N[6](C[6]C[6]CC)2(SiC[5]2Fe){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2{2|H<1>,3|C<4>}	120.3280	0.000	1	120.3280	0.000	1	120.3280	0.000	1	120.3280	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	116.9710	0.000	1	116.9710	0.000	1	116.9710	0.000	1	116.9710	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	5:4:4:	4:3:4:4:	4:3:4:4:	Si-5:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](SiC[5]2FeH)(C[6]C[6]CC)2	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2	N[6](SiC[5]2FeH)(C[6]C[6]CC)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2{2|H<1>,3|C<4>}	119.4550	0.000	1	119.4550	0.000	1	119.4550	0.000	1	119.4550	0.000	1	114.1227	13.611	1828	113.9530	14.492	2208
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[3x6]	C[3x6]	4:4:4:	3:4:3:1:	3:4:4:1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){1|C<3>,5|H<1>,7|C<4>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,5|C<4>,7|H<1>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H){1|O<1>,2|N<3>,3|C<4>,8|H<1>}	111.7900	0.000	1	112.2875	0.495	2	112.2875	0.495	2	112.2875	0.495	2	112.2917	0.248	3	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[3x6]	C[3x6]	4:4:4:	3:4:3:1:	3:4:4:1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){5|H<1>,8|C<4>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<3>,1|N<3>,5|C<4>,8|H<1>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H){1|C<3>,2|N<3>,3|C<4>,9|H<1>}	112.7850	0.000	1	112.2875	0.495	2	112.2875	0.495	2	112.2875	0.495	2	112.2917	0.248	3	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[3x6]	C[3x6]	4:4:4:	4:3:4:1:	4:3:4:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5,4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[4x6]-4:N[3x6]-3:C[6]-4:H-1:	N[3x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H)	C[3x6](C[4x6]C[5,3x6]C[6,6]H)(N[3x6]C[3x6]C[6,6])(C[6]C[6]HH)(H)	N[3x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH){5|H<1>,7|C<4>}	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,7|C<4>,7|H<1>}	C[3x6](C[4x6]C[5,3x6]C[6,6]H)(N[3x6]C[3x6]C[6,6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	112.3000	0.000	1	112.3000	0.000	1	112.3000	0.000	1	112.3000	0.000	1	112.2917	0.248	3	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	3:3:3:1:	C[3x6]-4:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:N[3x6]-3:N[6,6]-3:H-1:	C[6,6a]-3:N[3x6]-3:N[6]-3:H-1:	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H)	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H){1|C<4>,2|H<1>,6|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H){2|N<3>,3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,6|C<3>}	106.0195	0.517	2	106.0195	0.267	2	106.0195	0.267	2	106.0195	0.267	2	107.7647	3.921	6	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[3x6]	C[6,6]	4:4:4:	3:4:3:1:	3:3:4:1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:N[3x6]-3:C[6]-4:H-1:	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){1|C<3>,5|H<1>,7|C<4>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,5|C<4>,7|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	108.8170	0.000	1	109.1065	0.168	2	109.1065	0.168	2	109.1065	0.168	2	107.7647	3.921	6	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[3x6]	C[6,6]	4:4:4:	3:4:3:1:	3:3:4:1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:N[3x6]-3:C[6]-4:H-1:	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){5|H<1>,8|C<4>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<3>,1|N<3>,5|C<4>,8|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	109.3960	0.000	1	109.1065	0.168	2	109.1065	0.168	2	109.1065	0.168	2	107.7647	3.921	6	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[3x6]	C[6,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)	C[3x6](C[4x6]C[5,3x6]C[6,6]H)(N[3x6]C[3x6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(N[3x6]C[3x6]2)(H)2	N[3x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH){5|H<1>,7|C<4>}	C[3x6](C[4x6]C[5,3x6]C[6,6]H)(N[3x6]C[3x6]C[6,6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(N[3x6]C[3x6]2)(H)2{4|H<1>,6|C<4>}	106.0290	0.000	1	106.0290	0.000	1	106.0290	0.000	1	108.1680	9.151	2	107.7647	3.921	6	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[3x6]	C[6,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5,4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(N[3x6]C[3x6]2)(H)2	N[3x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH){5|H<1>,7|C<4>}	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,7|C<4>,7|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(N[3x6]C[3x6]2)(H)2{4|H<1>,6|C<4>}	110.3070	0.000	1	110.3070	0.000	1	110.3070	0.000	1	108.1680	9.151	2	107.7647	3.921	6	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[4x6]	C[6,6]	4:4:4:	4:3:3:4:	4:3:1:1:	C[4x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:N[3x6]-3:C[6,6]-3:C[6]-4:	C[5,3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)	C[4x6](C[6,6]C[5,6,6]HH)(N[3x6]C[6,6]C[6])(C[6,6]N[6,6]O)(C[6]C[6]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2	N[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[4x6](C[6,6]C[5,6,6]HH)(N[3x6]C[6,6]C[6])(C[6,6]N[6,6]O)(C[6]C[6]HH){3|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2{1|C<3>,5|C<4>,6|H<1>}	110.3620	0.000	2	110.3620	0.000	2	110.3620	0.000	2	110.3620	0.000	2	110.7760	0.514	3	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[4x6]	C[6,6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[4x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:N[3x6]-3:C[6,6]-4:H-1:	N[3x6]-3:C[3x6]-4:H-1:H-1:	N[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	C[4x6](C[3x6]C[5,6]C[6,6]C)(N[3x6]C[6,6]C[6])(C[6,6]C[6,6]CH)(H)	C[6,6](N[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2	N[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[5,6]C[6,6]C)(N[3x6]C[6,6]C[6])(C[6,6]C[6,6]CH)(H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[6,6](N[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	110.7760	0.514	3	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[4x6]	C[6]	4:4:4:	4:3:3:4:	3:4:1:1:	C[4x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:N[3x6]-3:C[6,6]-3:C[6]-4:	N[3x6]-3:C[6]-4:H-1:H-1:	N[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)	C[4x6](C[6,6]C[5,6,6]HH)(N[3x6]C[6,6]C[6])(C[6,6]N[6,6]O)(C[6]C[6]HH)	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	N[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[4x6](C[6,6]C[5,6,6]HH)(N[3x6]C[6,6]C[6])(C[6,6]N[6,6]O)(C[6]C[6]HH){3|C<4>,8|H<1>}	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	112.6590	0.000	2	112.6590	0.000	2	112.6590	0.000	2	112.6590	0.000	2	111.7477	2.492	3	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[4x6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[4x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:N[3x6]-3:C[6,6]-4:H-1:	N[3x6]-3:C[6]-4:H-1:H-1:	N[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	C[4x6](C[3x6]C[5,6]C[6,6]C)(N[3x6]C[6,6]C[6])(C[6,6]C[6,6]CH)(H)	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[5,6]HH)(H)2	N[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[5,6]C[6,6]C)(N[3x6]C[6,6]C[6])(C[6,6]C[6,6]CH)(H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	109.9250	0.000	1	109.9250	0.000	1	109.9250	0.000	1	109.9250	0.000	1	111.7477	2.492	3	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[3x6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	N[6,6]-3:N[3x6]-3:C[6]-4:H-1:	N[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){1|C<3>,5|H<1>,7|C<4>}	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H){1|O<1>,2|N<3>,3|C<4>,8|H<1>}	115.2500	0.000	1	114.5665	0.934	2	114.5665	0.934	2	114.5665	0.934	2	114.5665	0.934	2	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[3x6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	N[6,6]-3:N[3x6]-3:C[6]-4:H-1:	N[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){5|H<1>,8|C<4>}	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H){1|C<3>,2|N<3>,3|C<4>,9|H<1>}	113.8830	0.000	1	114.5665	0.934	2	114.5665	0.934	2	114.5665	0.934	2	114.5665	0.934	2	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	3:4:4:	3:3:1:1:	4:3:1:1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2{2|H<1>,4|C<3>}	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:	N[3x6]-3:C[6,6]-4:H-1:H-1:	N[3x6]-3:C[6,6]-4:H-1:H-1:	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2	C[6,6](N[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](N[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6,6](N[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](N[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	107.3310	0.000	1	107.3310	0.000	1	107.3310	0.000	1	107.3310	0.000	1	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6,6]-4:C[6,6]-4:N[3x6]-3:	N[3x6]-3:C[6]-4:N[6]-3:H-1:	N[3x6]-3:C[6]-4:N[6]-3:H-1:	N[3x6](C[6,6]C[6]N[6]H)2(N[3x6]C[6,6]2)	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H)	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H)	N[3x6](C[6,6]C[6]N[6]H)2(N[3x6]C[6,6]2){2|N<3>,3|C<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	114.9765	0.030	2	114.9765	0.001	2	114.9765	0.001	2	114.9765	0.001	2	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	108.4030	0.000	1	108.4253	0.089	15	108.4253	0.089	15	108.4253	0.089	15	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	108.3198	0.248	11	108.4253	0.089	15	108.4253	0.089	15	108.4253	0.089	15	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	108.8193	0.150	3	108.4253	0.089	15	108.4253	0.089	15	108.4253	0.089	15	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:2:1:1:	3:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:C[6,6]-2:H-1:H-1:	N[3x6]-3:C[6,6]-2:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6])(H)2	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6])(H)2	N[3x6](C[6,6]C[6,6]HH)3{1|N<3>}	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6])(H)2{2|C<2>,4|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6])(H)2{2|C<2>,4|H<1>}	108.8440	0.000	1	108.8440	0.000	1	108.8440	0.000	1	108.8440	0.000	1	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2{1|N<3>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,8|H<1>}	107.6900	0.454	5	107.6900	0.206	5	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<3>,1|N<3>,1|P<4>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<3>,1|N<3>,1|P<4>,7|H<1>}	107.3090	0.000	1	107.7284	0.294	11	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	107.5440	0.246	2	107.7284	0.294	11	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|Ru<9>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	108.4227	0.467	3	107.7284	0.294	11	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<3>,7|H<1>}	107.4694	0.323	5	107.7284	0.294	11	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Co<5>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.6935	0.100	2	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<5>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.2250	0.339	9	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.7630	0.546	6	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.4456	0.485	15	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ir<5>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.5956	0.626	9	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mn<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	107.7617	0.489	3	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mo<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	108.3660	0.721	2	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mo<9>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.4323	0.232	3	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|N<3>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.5107	0.578	3	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ni<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.0948	0.527	6	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<3>,1|N<3>,1|P<4>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.5425	0.831	2	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.3120	0.273	4	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Os<9>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.6320	0.659	9	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|C<3>,2|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,7|H<1>}	107.9570	0.000	1	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.4132	0.576	51	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pt<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.3617	0.559	40	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<5>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.2373	0.240	3	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.4748	0.930	20	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.7239	0.368	10	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.6174	0.211	9	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<10>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.5697	0.164	3	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.5589	0.274	21	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.4439	0.567	23	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<9>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.8105	0.614	6	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<9>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.4296	0.435	53	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.2654	0.382	5	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	108.0860	0.972	2	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<9>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	108.4990	1.164	3	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<3>,8|H<1>}	107.9669	0.629	10	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<3>,8|H<1>}	108.1830	0.000	1	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<3>,7|H<1>}	108.5000	0.041	2	108.4319	0.302	336	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|S<4>,2|C<4>}	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	111.8630	0.000	1	111.5357	0.081	3	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,1|S<4>,2|C<4>}	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	111.3720	0.034	2	111.5357	0.081	3	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){1|Mo<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	107.1180	0.000	1	106.4457	0.813	3	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){1|W<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	106.7980	0.000	1	106.4457	0.813	3	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<3>,7|H<1>}	105.4210	0.000	1	106.4457	0.813	3	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|Al<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.4803	0.065	3	108.1891	0.329	903	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|B<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.3560	0.154	6	108.1891	0.329	903	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|Cd<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.2267	0.274	6	108.1891	0.329	903	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|Co<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.4070	0.181	3	108.1891	0.329	903	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|Cu<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	107.7097	0.658	3	108.1891	0.329	903	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|D<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.6705	0.158	6	108.1891	0.329	903	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.3907	0.394	73	108.1891	0.329	903	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|Mn<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.0353	0.386	9	108.1891	0.329	903	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|Ni<5>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.4223	0.430	3	108.1891	0.329	903	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|Ni<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.4890	0.296	3	108.1891	0.329	903	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|O<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.6067	0.130	21	108.1891	0.329	903	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{2|N<3>,8|H<1>}	108.1453	0.593	752	108.1891	0.329	903	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{4|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.5218	0.531	15	108.1891	0.329	903	108.2516	0.368	1261	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:P[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2{1|C<4>,2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<3>,7|H<1>}	110.7044	0.804	10	110.9601	0.410	27	110.9601	0.410	27	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:P[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2{1|C<4>,2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<3>,8|H<1>}	111.0168	0.287	10	110.9601	0.410	27	110.9601	0.410	27	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:P[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2{1|P<3>,2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<3>,8|H<1>}	110.3685	0.223	2	110.9601	0.410	27	110.9601	0.410	27	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:P[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2{1|P<3>,2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<3>,7|H<1>}	111.4860	0.143	2	110.9601	0.410	27	110.9601	0.410	27	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:P[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<3>,8|H<1>}	111.0350	0.000	1	110.9601	0.410	27	110.9601	0.410	27	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:P[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){4|C<4>}	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<3>,8|H<1>}	111.9840	0.041	2	110.9601	0.410	27	110.9601	0.410	27	108.3084	0.520	1288	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:P[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Pd)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO){1|Pd<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Pd)(H)2{2|N<3>,2|O<1>,6|H<1>}	110.9695	0.156	2	110.9695	0.024	2	110.9902	0.100	6	110.9902	0.100	6	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:P[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Rh)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO){1|Rh<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Rh)(H)2{2|N<3>,2|O<1>,6|H<1>}	111.0005	0.398	4	111.0005	0.158	4	110.9902	0.100	6	110.9902	0.100	6	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|S<4>,2|C<4>}	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	111.2995	0.202	2	111.2995	0.041	2	111.8309	0.205	7	111.8309	0.205	7	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,1|H<1>,1|S<4>,2|C<4>}	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<4>,1|P<4>,2|O<1>,6|H<1>}	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	111.8990	0.000	1	112.0434	0.099	5	111.8309	0.205	7	111.8309	0.205	7	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,1|S<4>,2|C<4>}	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	112.0795	0.352	4	112.0434	0.099	5	111.8309	0.205	7	111.8309	0.205	7	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:3:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:P[3x6]-3:P-3:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(PC[6a]2)(H)	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){3|C<4>}	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(PC[6a]2)(H){2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<3>,7|H<1>}	106.0835	0.472	2	106.0835	0.222	2	106.0835	0.222	2	106.0835	0.222	2	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:3:1:	3:3:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a]-3:N[3x6]-3:N[3x6]-3:H-1:	C[6a]-3:N[3x6]-3:N[3x6]-3:H-1:	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){2|C<3>,2|N<2>,4|C<4>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	107.3843	0.878	3	107.3843	0.771	3	107.3843	0.771	3	107.3343	1.497	15	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:3:1:	3:3:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){4|C<3>,4|C<4>}	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,8|H<1>}	107.3427	1.364	6	107.0492	1.479	9	107.3218	1.764	12	107.3343	1.497	15	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:3:1:	3:3:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){4|C<3>,4|C<4>}	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,8|H<1>}	106.4623	0.701	3	107.0492	1.479	9	107.3218	1.764	12	107.3343	1.497	15	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:3:1:	3:3:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]P[3x6]HH){1|Pd<4>,3|C<4>,4|C<3>}	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|N<3>,1|P<4>,4|C<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|N<3>,1|P<4>,4|C<3>,8|H<1>}	108.1393	1.565	3	108.1393	2.450	3	107.3218	1.764	12	107.3343	1.497	15	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a]-3:N[3x6]-3:N[3x6]-3:H-1:	C[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){1|H<1>,2|C<3>,2|N<2>,4|C<4>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H){1|C<4>,1|N<4>,4|C<3>,7|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,2|C<3>,6|H<1>}	108.1120	0.314	2	108.7356	1.119	8	108.7356	1.119	8	109.4430	2.811	31	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a]-3:N[3x6]-3:N[3x6]-3:H-1:	C[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){2|C<3>,2|N<2>,4|C<4>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|N<3>,6|H<1>}	108.9435	1.157	6	108.7356	1.119	8	108.7356	1.119	8	109.4430	2.811	31	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	C[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){4|C<3>,4|C<4>}	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,8|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|N<3>,6|H<1>}	108.6843	1.443	12	108.9735	1.673	17	108.9735	1.673	17	109.4430	2.811	31	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	C[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){4|C<3>,4|C<4>}	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,8|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|N<3>,6|H<1>}	109.6676	0.340	5	108.9735	1.673	17	108.9735	1.673	17	109.4430	2.811	31	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]P[3x6]HH){1|Pd<4>,3|C<4>,4|C<3>}	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|N<3>,1|P<4>,4|C<3>,8|H<1>}	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|N<3>,6|H<1>}	111.7163	1.481	6	111.7163	2.192	6	111.7163	2.192	6	109.4430	2.811	31	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[5]HO)(H)	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){3|C<4>}	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[5]HO)(H){2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<3>,7|H<1>}	111.6825	2.111	2	111.6825	4.455	2	111.7477	3.673	10	111.7477	3.673	10	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]2N)(H)	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){3|C<4>}	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]2N)(H){2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<3>,7|H<1>}	111.6705	4.566	2	111.6705	20.846	2	111.7477	3.673	10	111.7477	3.673	10	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HN)(H)	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){3|C<4>}	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HN)(H){2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<3>,7|H<1>}	111.7378	1.273	4	111.7378	1.620	4	111.7477	3.673	10	111.7477	3.673	10	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){3|C<4>}	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<3>,7|H<1>}	111.9100	1.680	2	111.9100	2.823	2	111.7477	3.673	10	111.7477	3.673	10	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:4:4:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6,6]-3:N[3x6]-3:C-4:C-4:	C[6,6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)2	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(CH3)2	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(CH3)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|H<1>,3|C<4>}	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:3:4:4:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6,6]-3:N[3x6]-3:C-4:C-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)2	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(CH3)2	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(CH3)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|H<1>,3|C<3>}	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:	N[3x6]-3:P[3x6]-4:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Rh)(H)2	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO){1|Rh<8>,1|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Rh)(H)2{1|N<3>,1|N<4>,2|O<1>,6|H<1>}	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<4>,1|P<4>,2|O<1>,6|H<1>}	111.2070	0.000	1	111.2070	0.000	1	111.2070	0.000	1	111.2070	0.000	1	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:C[6,6]-4:H-1:H-1:	N[3x6]-3:C[6,6]-4:H-1:H-1:	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2{1|N<4>,4|H<1>,6|C<3>}	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.4645	0.279	2	109.4645	0.078	2	109.4645	0.078	2	109.4645	0.078	2	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:4:3:1:	3:3:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a]-3:N[3x6]-4:N[3x6]-3:H-1:	C[6a]-3:N[3x6]-3:N[3x6]-3:H-1:	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){1|H<1>,2|C<3>,2|N<2>,4|C<4>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H){1|C<4>,1|N<4>,4|C<3>,7|H<1>}	109.5230	0.134	2	109.5230	0.018	2	109.5230	0.018	2	109.5230	0.018	2	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a]-3:N[3x6]-4:N[3x6]-3:H-1:	C[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){1|H<1>,2|C<3>,2|N<2>,4|C<4>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,2|C<3>,6|H<1>}	111.2500	0.423	2	111.2500	0.179	2	111.2500	0.179	2	111.2500	0.179	2	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	N[3x6](C[6,6]C[6]2H)3	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3{11|H<1>,2|C<3>,2|C<4>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){1|O<1>,4|C<4>,4|H<1>}	109.7700	0.000	1	109.5640	0.085	2	111.2639	3.761	9	111.2639	3.761	9	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	N[3x6](C[6,6]C[6]2H)3	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3{11|H<1>,2|C<3>,2|C<4>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	109.3580	0.000	1	109.5640	0.085	2	111.2639	3.761	9	111.2639	3.761	9	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	N[3x6](C[6,6]C[6]2H)3	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3{11|H<1>,2|C<3>,2|C<4>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	109.9160	0.000	1	111.7496	3.762	7	111.2639	3.761	9	111.2639	3.761	9	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	N[3x6](C[6,6]C[6]2H)3	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3{12|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){1|O<2>,4|H<1>,5|C<4>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){1|O<2>,4|H<1>,5|C<4>}	112.2920	0.000	1	111.7496	3.762	7	111.2639	3.761	9	111.2639	3.761	9	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	N[3x6](C[6,6]C[6]2H)3	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3{12|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){1|O<2>,4|H<1>,5|C<4>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	111.6465	2.835	2	111.7496	3.762	7	111.2639	3.761	9	111.2639	3.761	9	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	N[3x6](C[6,6]C[6]2H)3	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3{12|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	112.0350	3.137	2	111.7496	3.762	7	111.2639	3.761	9	111.2639	3.761	9	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	N[3x6](C[6,6]C[6]2H)3	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3{12|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	112.6760	0.000	1	111.7496	3.762	7	111.2639	3.761	9	111.2639	3.761	9	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2{1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,8|H<1>}	108.6383	0.400	9	108.6383	0.160	9	108.6383	0.160	9	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|H<1>,3|C<4>}	105.7580	0.000	1	105.7580	0.000	1	107.9996	1.268	7	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3{1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	108.4590	0.409	4	108.4590	0.168	4	107.9996	1.268	7	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]N[3x6]H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3{1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]H)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	108.2015	1.074	2	108.2015	1.154	2	107.9996	1.268	7	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Cu<4>,4|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	110.0610	0.264	8	110.1849	0.224	27	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,4|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	110.5200	0.158	2	110.1849	0.224	27	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	110.2042	0.562	13	110.1849	0.224	27	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,4|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	110.6740	0.124	2	110.1849	0.224	27	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){4|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<3>,8|H<1>}	109.7310	0.520	2	110.1849	0.224	27	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Co<6>,1|O<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	109.2070	0.966	2	109.2070	0.933	2	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	109.7700	0.201	2	109.2996	1.032	10	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pt<4>,1|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	109.1335	0.774	2	109.2996	1.032	10	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<6>,1|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	109.3167	1.622	4	109.2996	1.032	10	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,1|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	108.9610	0.173	2	109.2996	1.032	10	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|N<2>,3|C<4>}	C[6,6](N[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	110.0205	0.702	4	110.0205	0.493	4	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,1|H<1>,1|S<4>,2|C<4>}	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<4>,1|P<4>,2|O<1>,6|H<1>}	111.2570	0.000	1	111.2570	0.000	1	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2Al)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|Al<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2Al)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.9533	0.257	6	108.9533	0.066	6	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|B<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.8259	0.248	12	108.8259	0.061	12	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{4|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	109.4244	0.614	29	109.4244	0.377	29	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2Cd)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|Cd<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2Cd)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.3879	0.441	12	108.3879	0.195	12	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|Co<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.5372	0.355	6	108.5372	0.126	6	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|Cu<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.0692	0.339	6	108.0692	0.115	6	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2D)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|D<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2D)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.8450	0.411	12	108.8450	0.169	12	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{2|Fe<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{2|N<4>,8|H<1>}	109.3137	0.344	4	109.3137	0.118	4	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.9288	0.381	144	108.9288	0.146	144	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2Mn)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|Mn<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2Mn)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.4850	0.368	18	108.4850	0.135	18	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|Ni<5>,3|C<4>}	C[6,6](N[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.7545	0.461	6	108.6822	0.178	12	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|Ni<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.6098	0.408	6	108.6822	0.178	12	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{1|O<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	109.1527	0.220	39	109.1527	0.048	39	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2Zn)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3{2|Zn<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2Zn)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{2|N<4>,8|H<1>}	108.5050	0.598	4	108.5050	0.358	4	109.0460	0.392	348	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:P[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){4|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	112.3520	0.625	2	112.3520	0.391	2	112.3520	0.391	2	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Co<5>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.2835	0.507	6	111.2835	0.257	6	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Cu<4>,4|C<4>}	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	112.2379	0.762	8	112.2379	0.580	8	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<5>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.1511	0.514	18	111.0547	0.314	59	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<6>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	110.8623	0.554	12	111.0547	0.314	59	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<8>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.0745	0.590	29	111.0547	0.314	59	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ir)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ir<5>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ir)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.0410	0.696	24	111.0410	0.485	24	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Mn)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mn<6>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Mn)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.2878	0.493	6	111.2878	0.243	6	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mo<6>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(H)2{1|P<4>,2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.2700	0.048	2	111.3204	0.653	10	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mo<6>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(H)2{1|P<4>,2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	112.3615	1.597	2	111.3204	0.653	10	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mo<9>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	110.9902	0.314	6	111.3204	0.653	10	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|N<3>,3|C<4>}	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.4467	0.667	6	111.4501	0.339	10	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|N<2>,3|C<4>}	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	111.4552	0.525	4	111.4501	0.339	10	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ni<4>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	110.8262	0.535	12	110.8262	0.287	12	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Co<6>,1|O<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	111.6630	0.054	2	110.9789	0.775	16	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<3>,1|N<3>,1|P<4>,7|H<1>}	111.4910	0.809	2	110.9789	0.775	16	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	110.8995	0.267	2	110.9789	0.775	16	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	110.0787	0.829	4	110.9789	0.775	16	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	110.8342	0.584	4	110.9789	0.775	16	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,4|C<4>}	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	111.9520	1.055	2	110.9789	0.775	16	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Os)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Os<9>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Os)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.4265	0.563	17	111.4265	0.317	17	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|C<3>,2|C<4>}	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,7|H<1>}	111.4875	0.698	2	111.1448	0.414	104	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|H<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	112.0775	0.090	2	111.1448	0.414	104	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.1193	0.636	100	111.1448	0.414	104	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pt<4>,1|H<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	113.8770	2.036	2	111.2287	0.609	81	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pt<4>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.1617	0.622	79	111.2287	0.609	81	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<5>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.6388	1.530	6	111.3808	0.660	51	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<6>,1|H<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	111.4190	0.860	4	111.3808	0.660	51	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<6>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.3393	0.682	41	111.3808	0.660	51	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<6>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.3565	0.733	22	111.2197	0.495	40	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.0524	0.645	18	111.2197	0.495	40	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<10>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.1217	0.335	6	111.1517	0.412	225	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.2283	0.377	39	111.1517	0.412	225	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	111.9979	0.427	14	111.1517	0.412	225	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,1|H<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	111.4640	0.144	2	111.1517	0.412	225	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	110.9535	0.736	46	111.1517	0.412	225	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,4|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	112.7000	1.198	2	111.1517	0.412	225	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<9>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	110.3343	0.809	6	111.1517	0.412	225	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<9>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	110.7570	1.021	6	111.1517	0.412	225	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<9>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.1325	0.519	104	111.1517	0.412	225	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<6>,3|C<4>}	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2{1|P<4>,2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	110.9635	0.262	2	111.1771	1.487	18	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<6>,3|C<4>}	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2{1|P<4>,2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	112.6320	2.007	2	111.1771	1.487	18	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<6>,3|C<4>}	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	111.1983	0.515	9	111.1771	1.487	18	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<9>,3|C<4>}	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	110.6422	1.824	5	111.1771	1.487	18	111.1880	0.500	687	110.4394	1.547	1053	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:C-4:H-1:	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(CCHH)(H)	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(CCHH)(H){1|N<4>,1|P<4>,8|H<1>}	108.7455	0.322	2	108.7455	0.104	2	108.7455	0.104	2	111.6885	11.794	4	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	3:3:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:C-4:H-1:	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(CCHH)(H)	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|C<4>,1|N<3>,1|N<4>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(CCHH)(H){1|N<4>,1|P<4>,8|H<1>}	114.6315	0.795	2	114.6315	0.633	2	114.6315	0.633	2	111.6885	11.794	4	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[3x6]HH)3{6|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,6|H<1>}	109.2216	0.424	5	109.2216	0.180	5	109.8257	0.799	8	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[3x6]HH)3{3|C<4>,3|N<3>}	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|C<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|C<4>,8|H<1>}	110.8327	0.065	3	110.8327	0.004	3	109.8257	0.799	8	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[4x6]-4:N[3x6]-3:H-1:H-1:	C[4x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[4x6]HH)3	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[4x6]HH)3{1|N<4>,2|N<3>,3|C<4>}	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,5|H<1>}	107.9950	0.303	2	108.9598	0.625	6	108.9598	0.625	6	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[4x6]-4:N[3x6]-3:H-1:H-1:	C[4x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[4x6]HH)3	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[4x6]HH)3{1|N<4>,2|N<3>,3|C<4>}	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,5|H<1>}	109.3090	0.000	1	108.9598	0.625	6	108.9598	0.625	6	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[4x6]-4:N[3x6]-3:H-1:H-1:	C[4x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[4x6]HH)3	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[4x6]HH)3{3|C<4>,3|N<3>}	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,4|H<1>}	109.4867	0.328	3	108.9598	0.625	6	108.9598	0.625	6	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	109.2180	0.000	1	108.2527	0.480	28	108.7536	1.798	1053	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	108.1894	0.683	23	108.2527	0.480	28	108.7536	1.798	1053	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	108.3752	0.731	4	108.2527	0.480	28	108.7536	1.798	1053	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3{1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,5|H<1>}	109.0645	0.438	2	108.7229	1.242	25	108.7536	1.798	1053	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3{1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	108.5520	0.467	2	108.7229	1.242	25	108.7536	1.798	1053	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3{1|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	108.7067	1.206	21	108.7229	1.242	25	108.7536	1.798	1053	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3{1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	108.7480	0.030	3	108.7480	0.001	3	108.7536	1.798	1053	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3{1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,4|H<1>}	108.7460	1.596	619	108.7685	1.849	997	108.7536	1.798	1053	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3{1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,5|H<1>}	108.4490	0.000	1	108.7685	1.849	997	108.7536	1.798	1053	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3{1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	108.4876	0.762	8	108.7685	1.849	997	108.7536	1.798	1053	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3{1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|Li<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|Li<4>,2|C<4>,4|H<1>}	108.3408	0.716	6	108.7685	1.849	997	108.7536	1.798	1053	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3{1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|O<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|O<4>,2|C<4>,4|H<1>}	108.7440	0.419	2	108.7685	1.849	997	108.7536	1.798	1053	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3{1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	108.9019	0.855	208	108.7685	1.849	997	108.7536	1.798	1053	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3{1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	108.7121	0.823	153	108.7685	1.849	997	108.7536	1.798	1053	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3{2|H<1>,4|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	109.4723	0.349	6	109.4723	0.122	6	109.2243	0.309	13	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3{2|Fe<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	109.8500	0.334	2	109.8500	0.111	2	109.2243	0.309	13	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3{2|H<1>,4|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	108.8600	0.203	3	108.8600	0.041	3	109.2243	0.309	13	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2Zn)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2Zn)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3{2|Zn<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2Zn)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2Zn)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	108.4010	0.042	2	108.4010	0.002	2	109.2243	0.309	13	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,4|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	113.9065	0.012	2	113.9065	0.000	2	113.0790	0.834	9	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Co<6>,1|O<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	111.7635	0.951	2	111.7635	0.905	2	113.0790	0.834	9	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|N<2>,3|C<4>}	C[6,6](N[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	113.1877	0.445	4	113.1877	0.198	4	113.0790	0.834	9	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,1|H<1>,1|S<4>,2|C<4>}	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	113.6200	0.000	1	113.6200	0.000	1	113.0790	0.834	9	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|C<4>,1|N<3>,1|N<4>,7|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	112.0265	0.858	2	112.0265	0.736	2	112.5878	0.509	36	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Cu<4>,4|C<4>}	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	112.8766	0.649	8	112.8766	0.421	8	112.5878	0.509	36	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|H<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	112.4080	0.752	2	112.4080	0.566	2	112.5878	0.509	36	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pt<4>,1|H<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	111.5695	2.220	2	111.5695	4.927	2	112.5878	0.509	36	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<6>,1|H<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	112.1180	0.585	4	112.1180	0.342	4	112.5878	0.509	36	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	112.6972	0.407	14	112.7146	0.163	16	112.5878	0.509	36	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,4|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	112.8365	0.504	2	112.7146	0.163	16	112.5878	0.509	36	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,1|H<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	113.1170	0.158	2	113.1170	0.025	2	112.5878	0.509	36	108.9251	2.318	1125	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:3:1:	3:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	N[3x6]-3:O[6,6]-2:H-1:H-1:	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]O[6,6]HH)	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6,6](N[3x6]C[6,6]2)(O[6,6]C[4x6])(H)2	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]O[6,6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)(O[6,6]C[4x6])(H)2{2|C<3>,2|C<4>,3|H<1>}	109.8575	0.486	2	109.8575	0.236	2	109.8575	0.236	2	109.8575	0.236	2	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]N[3x6]HH)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]N[3x6]HH){2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{2|C<4>,4|C<3>,4|H<1>}	108.5315	1.981	8	108.5315	3.925	8	108.5315	3.925	8	109.1295	6.065	10	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:C-3:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(COO)(H)	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(COO)(H){2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<3>,1|N<3>,1|P<4>,7|H<1>}	111.5215	3.579	2	111.5215	12.807	2	111.5215	12.807	2	109.1295	6.065	10	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]C[3x6]HH){2|C<4>,3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|C<4>,6|H<1>}	109.8490	0.793	2	109.8490	0.629	2	109.8490	0.629	2	109.1917	0.829	4	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:C-3:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]O)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]O)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	108.7900	0.000	1	108.7900	0.000	1	108.5345	0.131	2	109.1917	0.829	4	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:C-3:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]O)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]O)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	108.2790	0.000	1	108.2790	0.000	1	108.5345	0.131	2	109.1917	0.829	4	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]C[3x6]HH){2|C<4>,3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	109.6500	0.000	1	109.6500	0.000	1	110.6407	7.587	6	110.6407	7.587	6	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]N[3x6]HH)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]N[3x6]HH){2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	111.4032	3.183	4	111.4032	10.128	4	110.6407	7.587	6	110.6407	7.587	6	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]O[6,6]HH)	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]O[6,6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,7|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,7|H<1>}	108.5810	0.000	1	108.5810	0.000	1	110.6407	7.587	6	110.6407	7.587	6	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H)	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H){2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	113.4035	1.474	2	113.4035	2.174	2	112.8327	1.629	10	111.7847	6.908	14	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	112.2140	1.249	2	112.2140	1.559	2	112.8327	1.629	10	111.7847	6.908	14	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]2O)(H)	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|Ru<9>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]2O)(H){2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	113.0985	1.620	4	113.0985	2.623	4	112.8327	1.629	10	111.7847	6.908	14	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|Ru<9>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	112.3490	0.946	2	112.3490	0.895	2	112.8327	1.629	10	111.7847	6.908	14	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:P-4:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(PC[6a]2Mo)(H)	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){1|Mo<6>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(PC[6a]2Mo)(H){2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	109.2865	4.092	2	109.2865	16.745	2	109.1647	12.233	4	111.7847	6.908	14	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	P[3x6]-4:N[3x6]-3:P-4:H-1:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(PC[6a]2W)(H)	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){1|W<6>,3|C<4>}	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(PC[6a]2W)(H){2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	109.0430	4.460	2	109.0430	19.895	2	109.1647	12.233	4	111.7847	6.908	14	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	107.3455	0.811	2	107.3455	0.658	2	109.2497	3.885	54	109.2497	3.885	54	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	110.7055	0.142	2	110.7055	0.020	2	109.2497	3.885	54	109.2497	3.885	54	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	108.4997	1.254	7	108.4997	1.572	7	109.2497	3.885	54	109.2497	3.885	54	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	109.4100	2.035	7	109.4100	4.141	7	109.2497	3.885	54	109.2497	3.885	54	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	109.5976	2.044	14	109.2056	4.181	17	109.2497	3.885	54	109.2497	3.885	54	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	107.3767	0.449	3	109.2056	4.181	17	109.2497	3.885	54	109.2497	3.885	54	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	109.0817	2.251	14	109.4876	4.960	17	109.2497	3.885	54	109.2497	3.885	54	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	111.3817	0.457	3	109.4876	4.960	17	109.2497	3.885	54	109.2497	3.885	54	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	108.3010	0.000	1	108.3010	0.000	1	109.2497	3.885	54	109.2497	3.885	54	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	111.9300	0.000	1	111.9300	0.000	1	109.2497	3.885	54	109.2497	3.885	54	109.1887	2.373	3669	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[3x6]	4:4:4:	3:3:4:1:	3:4:3:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	N[4x6]-3:C[6,6]-4:C[6]-3:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	108.5812	0.476	5	108.6995	0.407	8	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[3x6]	4:4:4:	3:3:4:1:	3:4:3:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	107.7300	0.000	1	108.1983	0.179	3	108.5555	0.630	4	108.5812	0.476	5	108.6995	0.407	8	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[3x6]	4:4:4:	3:3:4:1:	3:4:3:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	108.4325	0.172	2	108.1983	0.179	3	108.5555	0.630	4	108.5812	0.476	5	108.6995	0.407	8	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[3x6]	4:4:4:	3:3:4:1:	3:4:3:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){1|C<4>,3|C<3>,4|H<1>}	109.6270	0.000	1	109.6270	0.000	1	108.5555	0.630	4	108.5812	0.476	5	108.6995	0.407	8	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[3x6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	109.1210	0.000	1	108.6600	0.425	2	108.8967	0.381	3	108.8967	0.381	3	108.6995	0.407	8	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[3x6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	108.1990	0.000	1	108.6600	0.425	2	108.8967	0.381	3	108.8967	0.381	3	108.6995	0.407	8	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[3x6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	109.3700	0.000	1	109.3700	0.000	1	108.8967	0.381	3	108.8967	0.381	3	108.6995	0.407	8	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[6,6]-3:N[4x6]-3:H-1:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.2620	0.000	1	109.0383	0.457	3	109.0383	0.457	3	109.0383	0.457	3	108.9343	2.574	17	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[6,6]-3:N[4x6]-3:H-1:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.4940	0.000	1	109.0383	0.457	3	109.0383	0.457	3	109.0383	0.457	3	108.9343	2.574	17	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[6,6]-3:N[4x6]-3:H-1:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	109.3590	0.000	1	109.0383	0.457	3	109.0383	0.457	3	109.0383	0.457	3	108.9343	2.574	17	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:	3:3:4:1:	3:3:4:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[6,6]-3:N[4x6]-3:C-4:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	106.8040	0.000	1	108.1360	3.062	4	108.1360	3.062	4	108.1360	3.062	4	108.9343	2.574	17	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:	3:3:4:1:	3:3:4:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[6,6]-3:N[4x6]-3:C-4:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	109.0100	2.390	2	108.1360	3.062	4	108.1360	3.062	4	108.1360	3.062	4	108.9343	2.574	17	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:	3:3:4:1:	3:3:4:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[6,6]-3:N[4x6]-3:C-4:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	107.7200	0.000	1	108.1360	3.062	4	108.1360	3.062	4	108.1360	3.062	4	108.9343	2.574	17	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:	N[4x6]-3:C[5,6]-3:C[6,6]-4:H-1:	N[4x6]-3:C[6,6]-4:C-4:H-1:	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH)	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H)	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H)	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH){1|N<2>,4|C<4>,6|H<1>}	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	108.9343	2.574	17	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:	3:3:4:1:	4:3:4:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[6,6]-4:N[4x6]-3:C-4:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	106.0150	0.000	1	106.0150	0.000	1	106.0150	0.000	1	106.0150	0.000	1	108.9343	2.574	17	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	N[4x6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:N[4x6]-3:H-1:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.3110	0.000	1	109.3110	0.000	1	109.3110	0.000	1	109.4170	0.022	2	108.9343	2.574	17	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[4x6]-3:H-1:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	109.4170	0.022	2	108.9343	2.574	17	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:	3:4:3:1:	3:3:4:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[4x6]-3:C-4:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	110.1240	1.827	3	110.1240	3.339	3	110.1240	3.339	3	110.1240	3.339	3	108.9343	2.574	17	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:	3:4:4:1:	3:3:1:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:N[4x6]-3:H-1:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	108.9343	2.574	17	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:	3:4:4:1:	3:3:4:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:N[4x6]-3:C-4:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	110.3660	0.000	1	110.3660	0.000	1	110.3660	0.000	1	110.3660	0.000	1	108.9343	2.574	17	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:	3:4:4:1:	4:3:4:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[4x6]-3:C-4:H-1:	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	110.9560	0.000	1	110.9560	0.000	1	110.9560	0.000	1	110.9560	0.000	1	108.9343	2.574	17	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[4x6]	C[4x6]	4:4:2:	3:3:4:4:	3:3:4:4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<3>,1|C<4>,1|N<4>,2|O<2>,4|H<1>}	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,5|C<4>}	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,5|C<4>}	109.9730	0.383	6	110.0202	0.105	9	110.0202	0.105	9	110.0202	0.105	9	110.2345	0.315	11	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[4x6]	C[4x6]	4:4:2:	3:3:4:4:	3:3:4:4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<4>,1|N<3>,3|O<2>,4|H<1>}	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	110.1147	0.184	3	110.0202	0.105	9	110.0202	0.105	9	110.0202	0.105	9	110.2345	0.315	11	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[4x6]	C[4x6]	C[4x6]	4:4:2:	4:3:4:4:	3:3:4:4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	N[4x6]-4:N[4x6]-3:C[6,6]-4:C-4:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3)	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<4>,4|C<4>}	111.1985	0.192	2	111.1985	0.037	2	111.1985	0.037	2	111.1985	0.037	2	110.2345	0.315	11	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[3x6]-4:C[3x6]-4:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[3x6]C[6,6]N[6,6]H)2(H)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]H)2(H)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]H)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]H)2(H){1|C<4>,1|N<4>,6|H<1>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]H)2(H){1|N<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]H)2(H){1|N<3>,2|H<1>,3|C<4>}	108.5420	0.124	3	108.5420	0.015	3	108.5420	0.015	3	108.5420	0.015	3	111.6997	5.117	20	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:3:4:	4:3:3:4:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6](C[3x6]C[6,6]N[6,6]C)2(O)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(O){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	112.0340	0.000	1	112.0340	0.000	1	112.0340	0.000	1	112.0340	0.000	1	111.6997	5.117	20	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6](C[3x6]C[6,6]2H)2(O)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	N[6,6](C[3x6]C[6,6]2H)2(O){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){1|N<3>,2|C<4>,3|H<1>}	114.7360	0.000	1	113.9875	1.121	2	113.9875	1.121	2	113.9875	1.121	2	111.6997	5.117	20	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6](C[3x6]C[6,6]2H)2(O)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	N[6,6](C[3x6]C[6,6]2H)2(O){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){3|C<4>,3|H<1>}	113.2390	0.000	1	113.9875	1.121	2	113.9875	1.121	2	113.9875	1.121	2	111.6997	5.117	20	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:1:	4:4:3:4:	4:4:3:4:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	N[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3)	N[6,6](C[3x6]C[6,6]2C)2(O){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3){1|N<3>,5|C<4>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3){1|N<3>,5|C<4>}	115.8070	0.000	1	115.8070	0.000	1	115.8070	0.000	1	115.8070	0.000	1	111.6997	5.117	20	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:2:	4:3:3:4:	4:3:3:4:	C[3x6]-4:C[3x6]-4:O-2:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH){1|C<4>,1|N<4>,1|O<1>,1|O<2>,4|H<1>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	109.7135	0.005	2	110.6070	0.577	8	110.6070	0.577	8	110.6070	0.577	8	111.6997	5.117	20	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:2:	4:3:3:4:	4:3:3:4:	C[3x6]-4:C[3x6]-4:O-2:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|H<1>,1|N<3>,4|C<4>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|H<1>,1|N<3>,4|C<4>}	110.9048	0.619	6	110.6070	0.577	8	110.6070	0.577	8	110.6070	0.577	8	111.6997	5.117	20	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:3:	4:3:3:1:	4:3:3:1:	C[3x6]-4:C[3x6]-4:N-3:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO)	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H)	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO){2|C<4>,2|N<3>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	113.7920	0.228	2	113.7920	0.052	2	113.7920	0.052	2	113.7920	0.052	2	111.6997	5.117	20	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:4:	3:4:3:1:	4:3:2:1:	C[3x6]-4:C[3x6]-4:C-4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[4x6]-4:N[6,6]-3:O[6]-2:H-1:	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H){1|H<1>,2|C<4>,4|C<3>}	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	111.6997	5.117	20	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:4:	3:4:3:4:	4:3:2:1:	C[3x6]-4:C[3x6]-4:C-4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:C-4:	C[4x6]-4:N[6,6]-3:O[6]-2:H-1:	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H)	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H){3|C<4>,4|C<3>}	112.3540	0.000	1	112.3540	0.000	1	112.3540	0.000	1	112.3540	0.000	1	111.6997	5.117	20	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[3x6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[3x6]-4:S-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6](C[3x6]C[6,6]2H)2(SC[6a]OO)	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(N[6,6]C[3x6]S)(H)	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(N[6,6]C[3x6]S)(H)	N[6,6](C[3x6]C[6,6]2H)2(SC[6a]OO){2|Br<1>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(N[6,6]C[3x6]S)(H){1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(N[6,6]C[3x6]S)(H){1|O<2>,2|C<4>,3|H<1>}	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	111.6997	5.117	20	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	112.8890	0.137	2	113.1910	0.283	3	113.1910	0.283	3	113.1910	0.283	3	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	113.7950	0.000	1	113.1910	0.283	3	113.1910	0.283	3	113.1910	0.283	3	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:3:	4:3:3:1:	4:3:3:1:	C[3x6]-4:C[6,6]-4:C[6a]-3:	C[5,6,6]-4:N[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(N[6,6]C[3x6]C[6a])(C[6a]C[6a]2)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(N[6,6]C[3x6]C[6a])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	113.1270	0.000	1	113.1270	0.000	1	113.1270	0.000	1	113.1270	0.000	1	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:S-4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(SC[6a]OO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]S)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]S)(H)2	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	114.1170	0.000	1	114.1170	0.000	1	114.1170	0.000	1	114.1170	0.000	1	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:	4:3:2:1:	4:3:4:1:	C[3x6]-4:C[6,6]-4:C-4:	C[3,6,6]-4:N[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:N[6,6]-3:C-4:H-1:	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(N[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(CC[5a]HH)(H)	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3){1|C<3>,1|O<2>,3|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(N[6,6]C[6,6]C)(O[6,6]C[6,6])(H){4|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(CC[5a]HH)(H){1|O<2>,2|C<4>,4|H<1>}	110.7160	0.330	2	110.7160	0.109	2	110.7160	0.109	2	110.7160	0.109	2	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,4|H<1>}	110.6790	0.000	1	111.8535	2.759	2	111.8535	2.759	2	111.8535	2.759	2	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,5|H<1>}	113.0280	0.000	1	111.8535	2.759	2	111.8535	2.759	2	111.8535	2.759	2	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6,6]-4:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	112.3090	0.000	1	112.3090	0.000	1	112.3090	0.000	1	113.0670	1.149	2	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6,6]-4:C[3x6]-4:S-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(SC[6a]OO)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(SC[6a]OO){1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,6|H<1>}	113.8250	0.000	1	113.8250	0.000	1	113.8250	0.000	1	113.0670	1.149	2	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:	4:3:3:4:	4:3:3:1:	C[3x6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	111.6940	0.000	1	111.6940	0.000	1	111.6940	0.000	1	112.1120	0.349	2	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:	4:3:3:4:	4:3:3:1:	C[6,6]-4:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CH3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CH3){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	112.5300	0.000	1	112.5300	0.000	1	112.5300	0.000	1	112.1120	0.349	2	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:	4:3:3:4:	4:3:4:1:	C[3x6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	111.5877	0.263	3	111.5877	0.069	3	111.5877	0.069	3	111.5877	0.069	3	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	109.2220	0.000	1	111.6743	4.521	3	111.6363	1.614	10	111.6363	1.614	10	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	112.9005	0.146	2	111.6743	4.521	3	111.6363	1.614	10	111.6363	1.614	10	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	111.4865	0.121	2	111.6200	0.914	7	111.6363	1.614	10	111.6363	1.614	10	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	111.6660	1.344	4	111.6200	0.914	7	111.6363	1.614	10	111.6363	1.614	10	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	111.7030	0.000	1	111.6200	0.914	7	111.6363	1.614	10	111.6363	1.614	10	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:	4:4:3:1:	4:3:4:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:C-4:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CCHH)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CCHH){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CCHH)(H){2|C<4>,5|H<1>}	112.1900	0.000	1	112.1900	0.000	1	112.1900	0.000	1	112.1900	0.000	1	112.0604	1.424	27	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	3:4:4:	3:3:3:1:	3:4:1:1:	C[6,6a]-3:C[3x6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2{2|C<3>,2|N<3>,3|H<1>}	109.8827	0.288	3	109.8827	0.083	3	109.8827	0.083	3	109.8827	0.083	3	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:3:4:	3:3:3:1:	3:3:3:1:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[3x6]-3:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H){2|N<3>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3)	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	115.1940	0.000	1	115.1940	0.000	1	115.1940	0.000	1	115.1940	0.000	1	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	112.9755	0.011	2	112.9755	0.000	2	112.9755	0.000	2	112.9755	0.000	2	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:3:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	110.1670	0.481	4	110.1670	0.231	4	110.1670	0.231	4	110.1670	0.231	4	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:3:4:4:	3:4:1:1:	C[3x6]-4:C[6]-4:S[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(S[6]N[6]OO)	C[3x6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]S[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(S[6]N[6]OO){1|C<3>,3|C<4>,7|H<1>}	C[3x6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(C[6]C[6]HH)2{1|N<3>,2|C<4>,3|O<1>,8|H<1>}	C[6](N[6,6]C[3x6]S[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>,2|O<1>}	115.2340	0.000	1	115.2340	0.000	1	115.2340	0.000	1	115.2340	0.000	1	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5a,6,6]-3:C[5,6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H){1|O<2>,3|C<3>,3|C<4>,9|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	111.5825	0.110	2	111.5825	0.012	2	110.3143	2.166	4	110.6740	3.411	35	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5a,6,6]-3:C[5,6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H){1|O<2>,3|C<3>,3|C<4>,9|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.0460	0.228	2	109.0460	0.052	2	110.3143	2.166	4	110.6740	3.411	35	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.0638	0.327	9	108.9616	0.106	15	110.7897	3.601	30	110.6740	3.411	35	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.6770	0.000	1	108.9616	0.106	15	110.7897	3.601	30	110.6740	3.411	35	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.6290	0.000	1	108.9616	0.106	15	110.7897	3.601	30	110.6740	3.411	35	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,7|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.1300	0.078	2	108.9616	0.106	15	110.7897	3.601	30	110.6740	3.411	35	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.6420	0.283	2	108.9616	0.106	15	110.7897	3.601	30	110.6740	3.411	35	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	112.5689	0.464	9	112.6178	0.191	15	110.7897	3.601	30	110.6740	3.411	35	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	112.9140	0.000	1	112.6178	0.191	15	110.7897	3.601	30	110.6740	3.411	35	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	111.9280	0.000	1	112.6178	0.191	15	110.7897	3.601	30	110.6740	3.411	35	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,7|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	113.0375	0.013	2	112.6178	0.191	15	110.7897	3.601	30	110.6740	3.411	35	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	112.6150	0.132	2	112.6178	0.191	15	110.7897	3.601	30	110.6740	3.411	35	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]C[6]H)(C[6]C[6]HH)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,4|H<1>,6|C<4>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<3>,1|N<3>,5|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	108.6420	0.000	1	108.6420	0.000	1	108.6420	0.000	1	110.6740	3.411	35	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:1:	4:3:3:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]C[6]H)(C[6]C[6]HH)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,4|H<1>,6|C<4>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<3>,1|N<3>,5|C<4>,8|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H){2|N<3>,5|C<4>,9|H<1>}	113.0980	0.000	1	113.0980	0.000	1	113.0980	0.000	1	113.0980	0.000	1	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:4:	3:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:C-4:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)2	C[3x6](C[5,6,6]C[5,6,6]N[5])(C[6,6]C[6]2O)(N[6,6]C[6]2)(CH3)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]O)(H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5])(C[6,6]C[6]2O)(N[6,6]C[6]2)(CH3){1|C<4>,4|C<3>,7|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	111.8140	0.232	2	111.8140	0.054	2	111.8140	0.054	2	111.8140	0.054	2	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:3:4:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)2	C[3x6](C[5,6,6]C[5,6,6]N[5])(C[6,6]C[6]2O)(N[6,6]C[6]2)(CH3)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5])(C[6,6]C[6]2O)(N[6,6]C[6]2)(CH3){1|C<4>,4|C<3>,7|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	117.9780	0.195	2	117.9780	0.038	2	117.9780	0.038	2	117.9780	0.038	2	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[3x6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH){6|C<4>,6|H<1>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){11|H<1>,1|N<3>,3|C<4>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:3:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|C<4>,2|N<3>,5|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|C<3>,4|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	109.7870	0.081	2	109.7870	0.006	2	109.7870	0.006	2	109.7870	0.006	2	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:3:3:4:	3:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)2	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]H)(H)2	N[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:3:3:4:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|C<3>,4|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	111.8145	1.862	2	111.8145	3.466	2	112.5925	2.167	4	113.2915	2.644	6	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:3:3:4:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	113.9240	0.000	1	113.3705	0.613	2	112.5925	2.167	4	113.2915	2.644	6	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:3:3:4:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|C<3>,4|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	112.8170	0.000	1	113.3705	0.613	2	112.5925	2.167	4	113.2915	2.644	6	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:3:3:4:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3)	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	115.3440	0.000	1	115.3440	0.000	1	115.3440	0.000	1	113.2915	2.644	6	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:3:3:4:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)2	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	114.0350	0.000	1	114.0350	0.000	1	114.0350	0.000	1	113.2915	2.644	6	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5,3x6]C[5,6,6]N[5,6]O[6])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2	N[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6]N[5,6]O[6])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	116.3830	0.000	1	116.3830	0.000	1	116.3830	0.000	1	115.1237	1.701	3	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5,5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2	N[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	115.2090	0.000	1	115.2090	0.000	1	115.2090	0.000	1	115.1237	1.701	3	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	115.1237	1.701	3	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|N<3>,1|N<4>,4|C<4>,4|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<4>,2|C<4>,5|H<1>}	112.0600	0.000	1	112.0600	0.000	1	111.0375	1.373	12	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	112.1585	0.835	4	112.0276	0.609	5	111.0375	1.373	12	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|N<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	111.5040	0.000	1	112.0276	0.609	5	111.0375	1.373	12	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	110.2602	0.210	4	110.0420	0.154	6	111.0375	1.373	12	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|N<3>,1|N<4>,4|C<4>,4|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	109.7870	0.000	1	110.0420	0.154	6	111.0375	1.373	12	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|N<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	109.4240	0.000	1	110.0420	0.154	6	111.0375	1.373	12	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5,3x6]C[5,6,6]N[5,6]O[6])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	N[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6]N[5,6]O[6])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5,5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,5,6]HH)(H)2	N[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,5,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	111.0790	0.000	1	111.0790	0.000	1	111.0790	0.000	1	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)	C[3x6](C[6,6]C[3,6]C[6,6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[6,6]C[3,6]C[6,6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	113.6340	0.000	1	113.6340	0.000	1	111.1206	1.660	17	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	114.4210	0.000	1	114.4210	0.000	1	111.1206	1.660	17	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]2H)(C[6]C[6]HH)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	110.3370	0.198	2	110.3370	0.039	2	111.1206	1.660	17	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|N<3>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.8289	0.667	7	110.8149	0.378	9	111.1206	1.660	17	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|N<4>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.7660	0.590	2	110.8149	0.378	9	111.1206	1.660	17	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2{1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|O<2>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.5950	0.491	2	110.5950	0.241	2	111.1206	1.660	17	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2O)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2O)(N[6,6]C[6]2)(H){11|H<1>,1|O<2>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.8985	1.824	2	110.8985	3.326	2	111.1206	1.660	17	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:C[3x6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH){1|O<2>,6|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|N<3>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	108.6065	0.363	2	108.6065	0.132	2	108.6065	0.132	2	110.8763	1.669	34	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	3:4:3:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]2H)(C[6]C[6]HH)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,4|C<4>,8|H<1>}	111.2485	2.187	2	111.2485	4.783	2	111.2485	4.783	2	111.2485	4.783	2	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	4:3:2:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3,6]-4:N[6,6]-3:C-2:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)	C[3x6](C[6,6]C[3,6]C[6,6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[6,6]C[3,6]C[6,6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H){1|N<3>,4|C<4>,5|H<1>}	113.5950	0.000	1	113.5950	0.000	1	112.5335	2.254	2	112.5335	2.254	2	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:1:	4:3:2:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3,6]-4:N[6,6]-3:C-2:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H){1|N<3>,4|C<4>,5|H<1>}	111.4720	0.000	1	111.4720	0.000	1	112.5335	2.254	2	112.5335	2.254	2	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:4:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:N[6,6]-4:N[6,6]-3:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3){5|C<4>,9|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	111.3160	0.000	1	111.3160	0.000	1	113.6045	10.474	2	113.6045	10.474	2	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	4:4:3:4:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:N[6,6]-4:N[6,6]-3:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3)	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3){5|C<4>,9|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<4>,2|H<1>,4|C<4>}	115.8930	0.000	1	115.8930	0.000	1	113.6045	10.474	2	113.6045	10.474	2	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:	5:4:3:1:	3:4:4:4:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-5:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:C-4:C-4:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)	C[3x6](C[3x6]N[6,6]2CuH)(N[6,6]C[6]2Cu)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH){1|Cu<6>,2|C<4>,2|N<4>,5|H<1>}	C[3x6](C[3x6]N[6,6]2CuH)(N[6,6]C[6]2Cu)(N[6,6]C[6]2)(H){5|H<1>,8|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<5>,1|N<4>,2|C<4>,4|H<1>}	110.5430	0.000	1	110.5430	0.000	1	110.5430	0.000	1	110.5430	0.000	1	111.3844	4.514	106	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[4x6]	C[6]	4:4:4:	4:4:3:4:	3:4:1:1:	C[4x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)2	C[4x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)2{1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[4x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){10|H<1>,1|O<1>,5|C<4>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	112.8160	1.437	2	112.8160	2.065	2	112.8160	2.065	2	112.8160	2.065	2	112.8160	2.065	2	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[3x6]	4:4:3:	3:3:4:1:	3:4:4:1:	C[6,6]-4:C[3x6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	112.3660	0.000	1	112.1905	0.062	2	112.1905	0.062	2	112.1905	0.062	2	112.3500	1.583	7	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[3x6]	4:4:3:	3:3:4:1:	3:4:4:1:	C[6,6]-4:C[3x6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){4|H<1>,7|C<4>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	112.0150	0.000	1	112.1905	0.062	2	112.1905	0.062	2	112.1905	0.062	2	112.3500	1.583	7	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[3x6]	4:4:3:	3:4:3:1:	3:4:4:1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	112.3500	1.583	7	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[3x6]	4:4:3:	3:4:3:1:	3:4:4:4:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[3x6]-4:B[5a]-3:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H){3|H<1>,4|C<3>,4|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	113.9430	0.000	1	113.9430	0.000	1	113.9430	0.000	1	113.3900	0.612	2	112.3500	1.583	7	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[3x6]	4:4:3:	3:4:3:1:	3:4:4:4:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[3x6]-4:B[6,6]-3:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	N[6,6](C[6,6]B[6,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[6,6]C[6,6]2)(H)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	N[6,6](C[6,6]B[6,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,4|H<1>,7|C<4>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[6,6]C[6,6]2)(H){2|C<3>,5|H<1>,8|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	113.3900	0.612	2	112.3500	1.583	7	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[3x6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[6,6]-4:C[3x6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH){6|C<4>,6|H<1>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){11|H<1>,1|N<3>,3|C<4>}	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	112.3500	1.583	7	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[3x6]	4:4:4:	4:3:4:1:	4:3:3:1:	C[3x6]-4:C[6,6]-4:S-4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(SC[6a]OO)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(CC[6a]HH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(SC[6a]OO){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H){1|N<3>,2|C<4>,3|H<1>}	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	112.3500	1.583	7	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:2:1:	3:3:2:1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	N[6,6](C[6,6]C[6,6a]O[6]H)2(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H)	N[6,6](C[6,6]C[6,6a]O[6]H)2(H){4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,5|C<3>}	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:3:1:	3:3:3:1:	C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6]H)2(H)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H)	N[6,6](C[6,6]C[6]N[6]H)2(H){2|C<3>,2|C<4>,2|N<3>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	109.3340	0.000	1	109.3340	0.000	1	109.3340	0.000	1	109.3340	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:4:1:	4:4:3:1:	C[6,6]-4:C[6,6]-4:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[6,6]-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[5,6]C[6]H)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]H)(C[6]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[5,6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:3:1:	4:3:3:1:	C[6,6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:Cl-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[5a,6]C[5,6]Cl)(C[6,6]C[6]2H)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]H)(Cl)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(C[6]N[5,6]O)(H)	N[6,6](C[6,6]C[5a,6]C[5,6]Cl)(C[6,6]C[6]2H)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]H)(Cl){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(C[6]N[5,6]O)(H){1|Cl<1>,2|C<3>,2|C<4>}	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:O-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)2(O)	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(O){1|C<3>,1|C<4>,8|H<1>}	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	114.4780	0.000	1	114.4780	0.000	1	114.4780	0.000	1	114.4780	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:4:1:	3:4:4:4:	C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:C-4:	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)2(CH3)	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)2(CH3){1|O<1>,2|C<4>,3|H<1>}	112.3365	0.052	2	112.3365	0.003	2	112.3365	0.003	2	112.3365	0.003	2	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:4:2:	3:4:4:1:	C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(H)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]FF)(C[6]C[6]HH)(OH)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(H){1|O<2>,2|C<4>,2|F<1>,5|H<1>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:4:4:	3:4:4:4:	C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:P[6]-4:P[6]-4:C-4:	N[6,6]-3:P[6]-4:P[6]-4:C-4:	N[6,6](C[6,6]P[6]2C)2(H)	C[6,6](N[6,6]C[6,6]H)(P[6]O[6]OO)2(CCHH)	C[6,6](N[6,6]C[6,6]H)(P[6]O[6]OO)2(CCHH)	N[6,6](C[6,6]P[6]2C)2(H){2|O<2>,8|O<1>}	C[6,6](N[6,6]C[6,6]H)(P[6]O[6]OO)2(CCHH){1|C<4>,2|P<4>}	C[6,6](N[6,6]C[6,6]H)(P[6]O[6]OO)2(CCHH){1|C<4>,2|P<4>}	123.3040	0.000	1	123.3040	0.000	1	123.3040	0.000	1	123.3040	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:3:	3:3:4:1:	3:3:3:1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.2660	0.567	2	111.2660	0.322	2	111.2660	0.322	2	111.2660	0.322	2	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:3:	3:3:4:1:	3:3:4:1:	C[6,6]-4:C[6,6]-4:N-3:	N[5,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:C[6]-4:H-1:	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(NC[6a]H)	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]N)(C[6]C[5,6]N)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(NC[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](N[6,6]C[6,6]N)(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:3:	3:3:4:1:	3:4:2:1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:N[6]-2:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:3:	3:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]O[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO){1|O<2>,1|S<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	110.9480	0.000	1	110.9480	0.000	1	110.9480	0.000	1	110.9480	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:3:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C-3:	N[6,6]-3:C[6]-4:C[6]-3:C-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(COO)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]MoH)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(COO){1|Mo<7>,1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|Mo<7>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]MoH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	113.8160	0.000	1	113.8160	0.000	1	113.8160	0.000	1	113.8160	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2){10|H<1>,1|C<4>,3|C<3>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	110.4130	0.000	1	110.4130	0.000	1	110.4130	0.000	1	110.4130	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:3:2:1:	3:3:2:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	N[6,6](C[6,6]C[6,6a]O[6]H)2(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H)	N[6,6](C[6,6]C[6,6a]O[6]H)2(CH3){4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,4|C<3>}	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:3:3:1:	3:3:3:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH){2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H){1|N<3>,2|H<1>,4|C<3>}	106.6810	0.000	1	106.6810	0.000	1	106.9723	0.065	3	107.7606	2.458	10	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:3:3:1:	3:3:3:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,4|C<3>}	107.1180	0.048	2	107.1180	0.002	2	106.9723	0.065	3	107.7606	2.458	10	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:3:3:1:	3:3:3:1:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|N<3>,3|H<1>}	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	107.7606	2.458	10	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:3:3:1:	3:3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H)	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H){1|N<3>,2|C<4>,4|C<3>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H){1|N<3>,2|C<4>,4|C<3>,7|H<1>}	108.0373	1.958	6	108.0373	3.834	6	108.0373	3.834	6	107.7606	2.458	10	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:3:3:1:	3:4:3:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6a]-3:C[6,6]-3:N[6,6]-3:H-1:	N[6]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H)	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|Br<1>,1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	108.6570	0.000	1	108.6570	0.000	1	108.6570	0.000	1	108.6570	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:3:4:1:	3:3:3:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6]-3:N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	107.9870	0.000	1	107.9870	0.000	1	107.9870	0.000	1	110.1733	5.080	3	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:3:4:1:	3:3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	110.0440	0.000	1	110.0440	0.000	1	111.2665	2.989	2	110.1733	5.080	3	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:3:4:1:	3:3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H){2|O<1>,3|C<3>,3|C<4>,6|H<1>}	112.4890	0.000	1	112.4890	0.000	1	111.2665	2.989	2	110.1733	5.080	3	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:3:4:1:	3:3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)2(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)2(C[6]C[6]HH){5|C<4>,6|H<1>}	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	110.0750	1.535	3	110.0750	2.356	3	110.0750	2.356	3	110.0750	2.356	3	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:3:4:1:	3:4:3:1:	C[6,6]-4:C[6,6]-4:C[4]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(C[4]C[4]2C)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(C[4]C[4]2C){1|C<3>,1|C<4>,1|O<1>,2|N<3>,8|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	108.4980	0.000	1	108.4980	0.000	1	108.4980	0.000	1	108.4980	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:3:4:1:	4:3:3:1:	C[6,6]-4:C[6,6]-4:C-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	110.1055	0.535	2	110.1055	0.287	2	110.1055	0.287	2	110.1055	0.287	2	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:C-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	110.8250	0.000	2	110.8250	0.000	2	110.8250	0.000	2	110.8250	0.000	2	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:4:3:1:	3:4:3:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)2(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)2(CH3){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,4|C<3>}	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	112.5245	21.015	2	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:4:3:1:	3:4:3:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6a]-3:P[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:P[6]-4:N[6,6]-3:H-1:	N[6,6](C[6,6]C[6,6a]P[6]H)2(CCHH)	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H)	N[6,6](C[6,6]C[6,6a]P[6]H)2(CCHH){8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H){1|P<4>,2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H){1|P<4>,2|H<1>,8|C<3>}	115.7660	0.000	1	115.7660	0.000	1	115.7660	0.000	1	112.5245	21.015	2	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:4:3:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]2H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H){1|H<1>,2|C<3>,2|C<4>}	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:4:4:1:	3:4:3:1:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6](C[6,6]C[6]2H)2(CC3)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2H)2(CC3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)2(CC3)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(CC3){2|C<4>,8|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	109.4780	0.000	1	109.4780	0.000	1	109.5201	0.111	9	109.5201	0.111	9	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)2(CC[6a]HH)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(CC[6a]HH){1|C<3>,2|C<4>,7|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	109.6970	0.000	1	109.6970	0.000	1	109.5201	0.111	9	109.5201	0.111	9	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)2(CH3)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(CH3){2|C<4>,8|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	109.5009	0.376	7	109.5009	0.142	7	109.5201	0.111	9	109.5201	0.111	9	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	3:4:4:2:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(CH3)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]FF)(C[6]C[6]HH)(OH)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(CH3){1|O<2>,2|C<4>,2|F<1>,5|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	110.0020	0.000	1	110.0020	0.000	1	110.0020	0.000	1	110.0020	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:S-4:	C[4,6,6]-4:N[6,6]-3:C[6a]-3:H-1:	C[4,6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[4,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(SC[6a]OO)	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]S)(C[6a]C[6a]2)(H)	C[6,6](C[4,6,6]C[4,6]2H)(N[6,6]C[6,6]S)(H)2	N[6,6](C[6,6]C[4,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]S)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(N[6,6]C[6,6]S)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.7570	0.000	1	120.7570	0.000	1	120.7570	0.000	1	120.7570	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	3:3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:N[3x6]-3:C[6]-4:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|N<3>,3|C<4>,8|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	110.2025	0.508	2	110.2025	0.258	2	110.2025	0.258	2	110.2025	0.258	2	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH){1|Si<4>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	116.9450	0.000	1	116.9450	0.000	1	116.9450	0.000	1	116.9450	0.000	1	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	4:4:3:1:	3:3:4:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	110.4120	0.000	1	110.0510	0.123	3	110.0510	0.123	3	110.0510	0.123	3	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:	4:4:3:1:	3:3:4:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	109.8705	0.226	2	110.0510	0.123	3	110.0510	0.123	3	110.0510	0.123	3	110.3048	9.076	60	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:3:3:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	114.9300	0.000	1	114.9300	0.000	1	111.6725	21.223	2	111.6725	21.223	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:3:3:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,5|H<1>,6|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	108.4150	0.000	1	108.4150	0.000	1	111.6725	21.223	2	111.6725	21.223	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:3:4:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH){2|N<3>,4|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	107.8150	0.000	1	107.8150	0.000	1	109.8258	1.493	5	109.8258	1.493	5	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	110.4040	0.000	1	110.4040	0.000	1	109.8258	1.493	5	109.8258	1.493	5	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	109.9175	0.136	2	109.9175	0.019	2	109.8258	1.493	5	109.8258	1.493	5	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2{1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	111.0750	0.000	1	111.0750	0.000	1	109.8258	1.493	5	109.8258	1.493	5	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.2970	0.000	1	111.2970	0.000	1	111.8015	0.509	2	111.5037	0.521	3	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]CH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	112.3060	0.000	1	112.3060	0.000	1	111.8015	0.509	2	111.5037	0.521	3	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	110.9080	0.000	1	110.9080	0.000	1	110.9080	0.000	1	111.5037	0.521	3	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	4:3:2:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:O[6]-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6,6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	112.5265	1.668	2	112.5265	2.782	2	112.5265	2.782	2	112.5265	2.782	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:2:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6]-3:N[6,6]-3:O[6]-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	111.2050	0.000	1	111.2050	0.000	1	111.2050	0.000	1	113.3808	3.025	5	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:2:1:	3:4:1:1:	C[6,6]-4:N[6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	113.9248	1.435	4	113.9248	2.060	4	113.9248	2.060	4	113.3808	3.025	5	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:3:1:	3:4:1:1:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	112.7580	0.000	1	112.7580	0.000	1	112.7580	0.000	1	110.6248	1.435	5	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:N[6]-3:C[6]-4:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H)	C[6](N[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H){3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	110.0915	0.132	4	110.0915	0.017	4	110.0915	0.017	4	110.6248	1.435	5	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	116.8815	0.869	2	116.8815	0.755	2	116.8815	0.755	2	116.8815	0.755	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:2:	3:3:4:1:	3:4:2:2:	C[6,6]-4:C[6]-4:N[6]-2:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-2:C-2:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(N[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(C[6]C[6]CC)(H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(CN)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(N[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(C[6]C[6]CC)(H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(CN)2{1|C<4>,3|H<1>,4|C<3>}	114.4930	0.000	1	114.4930	0.000	1	114.4930	0.000	1	114.4930	0.000	1	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.6490	0.403	2	119.6490	0.162	2	119.6490	0.162	2	119.6490	0.162	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:3:1:	3:4:2:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C-2:C-2:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2{1|O<2>,2|H<1>,3|C<3>}	111.4910	0.000	1	111.4910	0.000	1	111.4910	0.000	1	111.4910	0.000	1	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	116.4900	0.000	1	116.4900	0.000	1	116.4900	0.000	1	114.5167	1.973	6	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	112.7340	0.000	1	112.7340	0.000	1	112.7340	0.000	1	114.5167	1.973	6	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:N[6]-3:	N[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	115.8330	0.000	1	115.8330	0.000	1	115.8330	0.000	1	114.5167	1.973	6	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:S[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	113.8155	0.261	2	113.8155	0.068	2	114.0143	0.153	3	114.5167	1.973	6	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:S[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	114.4120	0.000	1	114.4120	0.000	1	114.0143	0.153	3	114.5167	1.973	6	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:C-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(COO)(H)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(COO)(H){1|O<1>,2|C<3>,3|C<4>}	113.4930	0.000	1	113.4930	0.000	1	113.4930	0.000	1	113.4930	0.000	1	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:2:1:	3:4:2:1:	C[6,6]-4:C[6]-4:N[6]-3:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	N[6,6]-3:C[6]-4:C-2:H-1:	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C)	C[6,6](N[6,6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H)	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C){3|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H){1|O<2>,3|C<4>,3|H<1>}	115.4120	0.971	3	115.4120	0.943	3	115.4120	0.943	3	115.4120	0.943	3	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	111.8360	0.000	1	111.8360	0.000	1	111.8360	0.000	1	111.8360	0.000	1	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]O)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<4>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]O)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,3|C<4>,4|H<1>}	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:2:4:1:	3:4:1:1:	C[6]-4:C[6,6]-4:C[6]-4:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	114.2270	0.489	2	114.2270	0.239	2	113.1840	3.383	3	113.1840	3.383	3	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:2:4:1:	3:4:1:1:	C[6]-4:C[6,6]-4:C[6]-4:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]O[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,4|C<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.0980	0.000	1	111.0980	0.000	1	113.1840	3.383	3	113.1840	3.383	3	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:1:1:	3:2:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:O[6]-2:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,1|S<4>,2|H<1>}	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|O<2>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,1|N<3>,6|H<1>}	108.6510	0.000	1	108.6510	0.000	1	108.6510	0.000	1	108.3255	0.212	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:1:1:	3:2:1:1:	C[6,6]-4:C[6]-4:S[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:O[6]-2:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]O[6]HH)(S[6]C[6]OO)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]S[6])(O[6]C[6])(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]O[6]HH)(S[6]C[6]OO){2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|O<2>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6]S[6])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	108.0000	0.000	1	108.0000	0.000	1	108.0000	0.000	1	108.3255	0.212	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|S<4>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	109.9620	0.000	1	109.9620	0.000	1	110.1905	0.104	2	109.7807	0.334	4	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,2|H<1>,2|S<4>}	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,6|H<1>}	110.4190	0.000	1	110.4190	0.000	1	110.1905	0.104	2	109.7807	0.334	4	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:S[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO){2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	109.0350	0.000	1	109.0350	0.000	1	109.3710	0.226	2	109.7807	0.334	4	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:S[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]S)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO){1|S<4>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	109.7070	0.000	1	109.7070	0.000	1	109.3710	0.226	2	109.7807	0.334	4	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,2|H<1>,2|S<4>}	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|N<3>,2|O<1>,4|H<1>}	110.7720	0.000	1	110.7640	0.000	2	110.6383	0.047	3	110.6383	0.047	3	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|S<4>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|N<3>,2|O<1>,4|H<1>}	110.7560	0.000	1	110.7640	0.000	2	110.6383	0.047	3	110.6383	0.047	3	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,1|S<4>,2|H<1>}	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|O<2>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{1|N<3>,1|O<2>,2|O<1>,4|H<1>}	110.3870	0.000	1	110.3870	0.000	1	110.6383	0.047	3	110.6383	0.047	3	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:2:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	112.0000	0.569	3	112.0000	0.324	3	112.0000	0.324	3	111.8335	0.327	4	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:2:1:	3:3:1:1:	C[6,6]-4:P[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]P[6,6])(H)2	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH){2|P<4>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]P[6,6])(H)2{1|H<1>,2|N<2>,2|O<2>,4|C<3>}	111.3340	0.000	1	111.3340	0.000	1	111.3340	0.000	1	111.8335	0.327	4	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:2:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	111.9090	0.690	2	111.9090	0.476	2	111.9090	0.476	2	112.5272	0.524	5	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:2:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:S[6]-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H){1|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|S<2>,3|C<3>,3|H<1>}	112.9393	0.417	3	112.9393	0.174	3	112.9393	0.174	3	112.5272	0.524	5	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:3:1:	3:2:1:1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	N[6,6]-3:O[6]-2:H-1:H-1:	N[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)(S[6]O[6]OO)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H)	C[6](N[6,6]C[6,6]S[6])(O[6]C[6,6a])(H)2	N[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)(S[6]O[6]OO){4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H){2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]S[6])(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|O<1>,3|C<3>}	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]CC)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]CC)(H)2{1|C<4>,3|C<3>,3|H<1>}	110.9640	0.000	1	110.9640	0.000	1	111.2430	0.156	2	112.8623	7.945	3	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	111.5220	0.000	1	111.5220	0.000	1	111.2430	0.156	2	112.8623	7.945	3	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(S[6]C[6]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(S[6]C[6]OO){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H){2|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	116.1010	0.000	1	116.1010	0.000	1	116.1010	0.000	1	112.8623	7.945	3	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H)	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H){1|N<3>,2|C<4>,4|C<3>,7|H<1>}	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2{2|H<1>,2|N<3>,3|C<3>}	111.0078	1.932	6	111.0078	3.733	6	111.0078	3.733	6	111.0078	3.733	6	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-3:C[6a]-3:N[6,6]-3:N[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6a]C[6]N[6])(C[6]C[6]HH)2	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6a]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H){2|C<4>,4|C<3>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	110.8130	0.000	1	110.8130	0.000	1	110.9520	0.039	2	110.9520	0.039	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-3:C[6a]-3:N[6,6]-3:N[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6a]C[6]N[6])(C[6]C[6]HH)2	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	N[6,6](C[6,6]C[6a]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H){2|C<4>,4|C<3>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	111.0910	0.000	1	111.0910	0.000	1	110.9520	0.039	2	110.9520	0.039	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,5|H<1>}	109.6075	0.329	2	109.6757	0.292	4	109.6757	0.292	4	110.0654	0.978	5	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	110.3560	0.000	1	109.6757	0.292	4	109.6757	0.292	4	110.0654	0.978	5	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.1320	0.000	1	109.6757	0.292	4	109.6757	0.292	4	110.0654	0.978	5	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6]C[5a,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>,4|H<1>}	C[6,6](C[6]C[5a,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	111.6240	0.000	1	111.6240	0.000	1	111.6240	0.000	1	110.0654	0.978	5	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:3:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,6|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[5,6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	110.5370	0.000	1	110.5370	0.000	1	111.3123	1.874	3	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[5,6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	111.7000	1.687	2	111.7000	2.846	2	111.3123	1.874	3	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)2(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6,6]C[6]H)2(C[6]C[6]HH){5|C<4>,6|H<1>}	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	109.9163	1.931	3	109.9163	3.728	3	109.9163	3.728	3	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	112.8580	0.000	1	112.8580	0.000	1	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	108.8640	0.000	1	108.8640	0.000	1	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	108.2135	0.477	2	108.1022	0.098	4	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	107.9910	0.132	2	108.1022	0.098	4	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	115.7420	0.000	1	115.7420	0.000	1	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	108.8490	0.000	1	108.8490	0.000	1	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.3840	0.000	1	111.6480	0.297	6	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	111.2500	0.419	2	111.6480	0.297	6	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	112.1820	0.000	1	111.6480	0.297	6	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.4100	0.000	1	111.6480	0.297	6	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	112.4120	0.000	1	111.6480	0.297	6	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	107.7010	0.000	1	108.0095	0.190	2	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	108.3180	0.000	1	108.0095	0.190	2	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	110.5630	0.000	1	110.5630	0.000	1	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.3210	0.000	1	108.3210	0.000	1	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,6|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	111.8040	0.000	1	111.8040	0.000	1	110.2798	4.959	19	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.5040	0.000	1	110.5040	0.000	1	111.4179	1.635	15	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.6055	0.921	2	111.0583	1.054	4	111.4179	1.635	15	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.5110	1.056	2	111.0583	1.054	4	111.4179	1.635	15	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,5|H<1>}	111.6935	0.463	2	111.6935	0.215	2	111.4179	1.635	15	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	110.9515	1.238	2	110.9515	1.533	2	111.4179	1.635	15	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.9520	0.000	1	110.9520	0.000	1	111.4179	1.635	15	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	110.0320	0.000	1	110.0320	0.000	1	111.4179	1.635	15	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	113.6150	1.971	2	113.6150	3.886	2	111.4179	1.635	15	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	111.5140	0.581	2	111.5140	0.338	2	111.4179	1.635	15	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	109.1680	0.000	1	109.1680	0.000	1	110.2734	0.893	7	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	110.7785	0.757	4	110.4577	0.786	6	110.2734	0.893	7	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	109.1170	0.000	1	110.4577	0.786	6	110.2734	0.893	7	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,5|H<1>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	110.5150	0.000	1	110.4577	0.786	6	110.2734	0.893	7	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6]C[5a,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>,4|H<1>}	C[6,6](C[6]C[5a,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	111.5190	0.000	1	111.5190	0.000	1	111.5190	0.000	1	110.7022	3.079	48	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	111.2200	0.000	1	111.2200	0.000	1	110.6603	0.855	6	111.9767	12.843	7	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	110.3195	0.315	2	110.8955	0.497	4	110.6603	0.855	6	111.9767	12.843	7	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	111.4715	0.257	2	110.8955	0.497	4	110.6603	0.855	6	111.9767	12.843	7	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	109.1600	0.000	1	109.1600	0.000	1	110.6603	0.855	6	111.9767	12.843	7	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(S[6]O[6]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]2H)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(S[6]O[6]OO){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,3|O<1>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|O<1>,5|H<1>}	119.8750	0.000	1	119.8750	0.000	1	119.8750	0.000	1	111.9767	12.843	7	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	111.9090	0.000	1	111.9090	0.000	1	114.4795	13.215	2	111.7274	5.035	9	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H)	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	117.0500	0.000	1	117.0500	0.000	1	114.4795	13.215	2	111.7274	5.035	9	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,4|C<4>,6|H<1>}	110.4200	0.000	1	110.4200	0.000	1	110.9411	1.265	7	111.7274	5.035	9	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,4|C<4>,6|H<1>}	110.6683	0.616	4	111.0280	1.455	6	110.9411	1.265	7	111.7274	5.035	9	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,4|C<4>,6|H<1>}	113.2610	0.000	1	111.0280	1.455	6	110.9411	1.265	7	111.7274	5.035	9	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,5|H<1>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,4|C<4>,6|H<1>}	110.2340	0.000	1	111.0280	1.455	6	110.9411	1.265	7	111.7274	5.035	9	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,5|H<1>}	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	109.6883	0.802	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	109.9510	0.000	1	109.9510	0.000	1	109.9510	0.000	1	109.6883	0.802	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	109.7910	0.000	1	109.7910	0.000	1	109.8232	0.600	12	109.6883	0.802	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	110.4870	0.707	2	110.4870	0.500	2	109.8232	0.600	12	109.6883	0.802	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	110.5760	0.000	1	109.9079	0.182	8	109.8232	0.600	12	109.6883	0.802	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	109.9677	0.213	4	109.9079	0.182	8	109.8232	0.600	12	109.6883	0.802	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	109.6053	0.447	3	109.9079	0.182	8	109.8232	0.600	12	109.6883	0.802	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	107.8510	0.000	1	107.8510	0.000	1	109.8232	0.600	12	109.6883	0.802	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:3:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	112.3840	0.000	1	112.3840	0.000	1	112.3840	0.000	1	112.3840	0.000	1	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	106.8500	0.000	1	106.8500	0.000	1	108.7865	7.500	2	111.1922	4.154	25	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.7230	0.000	1	110.7230	0.000	1	108.7865	7.500	2	111.1922	4.154	25	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.5020	0.000	1	111.5020	0.000	1	111.1383	8.047	10	111.1922	4.154	25	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	107.9265	2.214	2	107.9265	4.902	2	111.1383	8.047	10	111.1922	4.154	25	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.4750	0.819	2	112.0040	6.919	7	111.1383	8.047	10	111.1922	4.154	25	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.2233	0.580	3	112.0040	6.919	7	111.1383	8.047	10	111.1922	4.154	25	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.6150	0.000	1	112.0040	6.919	7	111.1383	8.047	10	111.1922	4.154	25	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	117.7930	0.000	1	112.0040	6.919	7	111.1383	8.047	10	111.1922	4.154	25	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	111.7660	0.000	1	111.7660	0.000	1	111.6037	0.497	13	111.1922	4.154	25	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	112.8110	0.000	1	112.8110	0.000	1	111.6037	0.497	13	111.1922	4.154	25	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	112.6890	0.000	1	112.6890	0.000	1	111.6037	0.497	13	111.1922	4.154	25	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	111.4140	0.000	1	111.3582	0.299	10	111.6037	0.497	13	111.1922	4.154	25	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	111.3520	0.580	9	111.3582	0.299	10	111.6037	0.497	13	111.1922	4.154	25	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	110.2794	3.688	7	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,4|C<4>,6|H<1>}	112.9760	0.059	2	110.5722	3.706	6	110.5722	3.706	6	110.2794	3.688	7	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,4|C<4>,6|H<1>}	108.5710	0.000	1	110.5722	3.706	6	110.5722	3.706	6	110.2794	3.688	7	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,6|H<1>}	110.0920	0.000	1	110.5722	3.706	6	110.5722	3.706	6	110.2794	3.688	7	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,4|C<4>,5|H<1>}	109.5320	0.000	1	110.5722	3.706	6	110.5722	3.706	6	110.2794	3.688	7	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	109.2860	0.000	1	110.5722	3.706	6	110.5722	3.706	6	110.2794	3.688	7	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:3:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:N[6,6]-3:C[6a]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	112.2440	0.000	1	112.2440	0.000	1	112.2440	0.000	1	112.2440	0.000	1	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:C-4:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	110.5240	0.498	2	110.5240	0.248	2	110.5240	0.248	2	110.5240	0.248	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	107.8553	0.432	3	107.8553	0.186	3	109.5868	3.726	6	110.0926	2.957	9	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,7|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|O<2>,2|H<1>,5|C<4>}	111.0250	0.000	1	111.0250	0.000	1	109.5868	3.726	6	110.0926	2.957	9	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,1|S<4>,2|O<2>,6|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	111.7280	0.000	1	111.7280	0.000	1	109.5868	3.726	6	110.0926	2.957	9	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,1|S<4>,2|O<2>,6|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|O<1>,3|C<4>,3|H<1>}	111.2020	0.000	1	111.2020	0.000	1	109.5868	3.726	6	110.0926	2.957	9	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:S[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]N[6]OO)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]N[6]OO){1|C<4>,1|O<2>,6|H<1>}	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|N<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>,2|O<1>}	110.8575	0.250	2	110.8575	0.062	2	111.1040	0.213	3	110.0926	2.957	9	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:S[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]N[6]OO)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]N[6]OO){2|C<4>,7|H<1>}	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<1>,3|H<1>}	111.5970	0.000	1	111.5970	0.000	1	111.1040	0.213	3	110.0926	2.957	9	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	113.9350	0.426	3	113.9350	0.181	3	113.5157	0.824	4	112.6705	2.238	6	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,7|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){3|C<4>,3|H<1>}	112.2580	0.000	1	112.2580	0.000	1	113.5157	0.824	4	112.6705	2.238	6	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[6]-4:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){1|C<3>,2|H<1>,3|C<4>}	110.9800	0.379	2	110.9800	0.144	2	110.9800	0.144	2	112.6705	2.238	6	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2	C[6,6](C[6,6]C[6]N[6]H)(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2{1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6,6]C[6]2)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	109.2540	0.000	1	109.2540	0.000	1	108.8785	0.282	2	108.8785	0.282	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2	C[6,6](C[6,6]C[6]N[6]H)(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2{1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6,6]C[6]2)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	108.5030	0.000	1	108.5030	0.000	1	108.8785	0.282	2	108.8785	0.282	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH)	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(N[6,6]C[6]2)(H){1|N<3>,3|C<3>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.0090	0.000	1	111.0090	0.000	1	111.0090	0.000	1	109.5290	4.381	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:N[6,6]-3:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH)	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(N[6]O[6]C)(H)2	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(N[6,6]C[6]2)(H){1|N<3>,3|C<3>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]O[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	108.0490	0.000	1	108.0490	0.000	1	108.0490	0.000	1	109.5290	4.381	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[5,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5,6]2H)(C[6]C[6]HH)2	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	N[6,6](C[6,6]C[5,6]2H)(C[6]C[6]HH)2{1|N<2>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H){2|O<2>,5|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	111.3280	0.000	1	111.3280	0.000	1	110.7360	0.701	2	110.4120	0.387	4	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[5,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5,6]2H)(C[6]C[6]HH)2	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2	N[6,6](C[6,6]C[5,6]2H)(C[6]C[6]HH)2{1|N<2>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H){2|O<2>,5|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.1440	0.000	1	110.1440	0.000	1	110.7360	0.701	2	110.4120	0.387	4	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.0880	0.198	2	110.0880	0.039	2	110.0880	0.039	2	110.4120	0.387	4	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]C)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	113.6440	0.509	2	113.6440	0.259	2	113.6440	0.259	2	113.6440	0.259	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]2)(H)2	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH){1|Si<4>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	110.4880	2.622	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1	110.4880	2.622	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|N<3>,3|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	109.6010	0.283	2	109.6010	0.080	2	109.6010	0.080	2	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	108.7680	0.000	1	108.7680	0.000	1	110.5045	6.031	2	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	112.2410	0.000	1	112.2410	0.000	1	110.5045	6.031	2	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CC)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CC){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,3|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|C<2>,1|N<3>,4|H<1>,5|C<4>}	110.7960	0.000	1	110.7960	0.000	1	112.0343	2.482	9	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	113.8170	0.000	1	112.1891	2.591	8	112.0343	2.482	9	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<3>,4|C<4>,6|H<1>}	110.3720	0.000	1	112.1891	2.591	8	112.0343	2.482	9	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	112.2207	1.561	6	112.1891	2.591	8	112.0343	2.482	9	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	111.0665	0.039	2	111.0665	0.002	2	111.2160	0.277	13	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	111.5660	0.000	1	111.1821	0.197	9	111.2160	0.277	13	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	111.0560	0.000	1	111.1821	0.197	9	111.2160	0.277	13	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	111.6670	0.000	1	111.1821	0.197	9	111.2160	0.277	13	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	111.0583	0.465	6	111.1821	0.197	9	111.2160	0.277	13	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[6,6]C[6]S[6]2)(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<2>,2|C<4>,2|S<2>,5|H<1>}	C[6,6](C[6,6]C[6]S[6]2)(N[6,6]C[6]2)(C[6]C[6]CH)(H){4|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	111.5180	1.228	2	111.5180	1.507	2	111.2160	0.277	13	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	109.2790	0.000	1	109.2790	0.000	1	111.2067	2.777	7	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.2500	0.000	1	110.2500	0.000	1	111.2067	2.777	7	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	112.6063	1.623	3	112.6063	2.633	3	111.2067	2.777	7	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	110.5495	0.156	2	110.5495	0.024	2	111.2067	2.777	7	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	111.4865	1.261	2	111.4865	1.590	2	111.5023	0.796	3	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	111.5340	0.000	1	111.5340	0.000	1	111.5023	0.796	3	111.3134	1.706	36	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	112.9483	0.666	3	112.9820	0.300	4	112.9820	0.300	4	112.9820	0.300	4	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	113.0830	0.000	1	112.9820	0.300	4	112.9820	0.300	4	112.9820	0.300	4	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:4:2:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:C-2:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CC)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CC){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,3|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN){3|C<4>,5|H<1>}	113.4740	0.000	1	113.4740	0.000	1	113.4740	0.000	1	113.4740	0.000	1	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{4|C<4>,7|H<1>}	111.8750	0.000	1	111.8750	0.000	1	111.8750	0.000	1	112.1795	2.284	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6]2)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	C[6](C[3x6]C[3x6]C[6]2)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,5|C<4>,8|H<1>}	112.5885	0.019	2	112.5885	0.000	2	112.5885	0.000	2	112.1795	2.284	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	113.2407	0.028	3	113.2407	0.001	3	113.3000	0.238	6	112.1795	2.284	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]O)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	112.7520	0.000	1	112.7520	0.000	1	113.3000	0.238	6	112.1795	2.284	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|C<4>,4|H<1>}	113.1090	0.000	1	113.1090	0.000	1	113.3000	0.238	6	112.1795	2.284	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|C<4>,4|H<1>}	114.2170	0.000	1	114.2170	0.000	1	113.3000	0.238	6	112.1795	2.284	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2{5|H<1>,6|C<4>}	110.5357	0.939	3	110.5357	0.881	3	110.7322	2.517	5	112.1795	2.284	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,5|C<4>}	111.0270	2.831	2	111.0270	8.016	2	110.7322	2.517	5	112.1795	2.284	14	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6,6]-3:C-4:H-1:	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H){4|C<4>,7|H<1>}	110.9780	0.000	1	110.9780	0.000	1	110.9780	0.000	1	110.9780	0.000	1	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<3>,5|C<4>,5|H<1>}	114.2920	0.000	1	114.2920	0.000	1	114.2920	0.000	1	114.4840	0.074	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	114.6760	0.000	1	114.6760	0.000	1	114.6760	0.000	1	114.4840	0.074	2	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:3:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HS)(N[6,6]C[6]2)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HS)(N[6,6]C[6]2)(H){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	113.7720	0.000	1	113.7720	0.000	1	113.7720	0.000	1	113.7720	0.000	1	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:2:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:O-2:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HS)(N[6,6]C[6]2)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HS)(N[6,6]C[6]2)(H){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H){2|C<3>,4|C<4>,4|H<1>}	113.6300	0.000	1	113.6300	0.000	1	113.6300	0.000	1	113.6300	0.000	1	111.4569	4.825	282	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:3:	3:4:1:1:	4:3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,6|C<4>,6|H<1>}	116.8520	0.000	1	115.9620	1.584	2	115.9620	1.584	2	115.9620	1.584	2	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:3:	3:4:1:1:	4:3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,5|C<4>,6|H<1>}	115.0720	0.000	1	115.9620	1.584	2	115.9620	1.584	2	115.9620	1.584	2	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:4:	3:4:1:1:	3:3:3:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](N[6,6]C[6]2)3(H)	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2{4|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	C[3x6](N[6,6]C[6]2)3(H){12|H<1>,3|C<4>}	110.6370	0.197	6	110.6370	0.039	6	110.6370	0.039	6	110.6370	0.039	6	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:4:	3:4:1:1:	4:3:3:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,6|C<4>,6|H<1>}	107.8490	0.000	1	108.9225	2.305	2	110.6047	3.491	6	110.6433	2.523	10	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:4:	3:4:1:1:	4:3:3:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,5|C<4>,6|H<1>}	109.9960	0.000	1	108.9225	2.305	2	110.6047	3.491	6	110.6433	2.523	10	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:4:	3:4:1:1:	4:3:3:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,6|C<4>,6|H<1>}	112.1040	0.000	1	111.4458	2.221	4	110.6047	3.491	6	110.6433	2.523	10	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:4:	3:4:1:1:	4:3:3:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,5|C<4>,6|H<1>}	112.8020	0.000	1	111.4458	2.221	4	110.6047	3.491	6	110.6433	2.523	10	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:4:	3:4:1:1:	4:3:3:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|C<4>,2|N<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|C<3>,4|C<4>,8|H<1>}	111.5250	0.000	1	111.4458	2.221	4	110.6047	3.491	6	110.6433	2.523	10	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:4:	3:4:1:1:	4:3:3:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|C<4>,2|N<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|C<3>,4|C<4>,8|H<1>}	109.3520	0.000	1	111.4458	2.221	4	110.6047	3.491	6	110.6433	2.523	10	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:4:	3:4:1:1:	4:3:3:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6]N[6]2C)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6]N[6]2C)(N[6,6]C[6]2)2(H){10|H<1>,3|C<4>}	109.8325	0.012	2	109.8325	0.000	2	110.7013	1.744	4	110.6433	2.523	10	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:4:	3:4:1:1:	4:3:3:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[3x6](C[6,6]N[6]2C)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]N[6]2C)(N[6,6]C[6]2)2(H){10|H<1>,3|C<4>}	111.5700	1.488	2	111.5700	2.213	2	110.7013	1.744	4	110.6433	2.523	10	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:4:	3:4:1:1:	4:3:3:4:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	111.1030	0.000	1	111.1030	0.000	1	111.6125	0.519	2	111.2377	0.681	3	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:4:	3:4:1:1:	4:3:3:4:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|C<3>,4|C<4>,8|H<1>}	112.1220	0.000	1	112.1220	0.000	1	111.6125	0.519	2	111.2377	0.681	3	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:4:	3:4:1:1:	4:3:3:4:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	111.2377	0.681	3	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:4:	3:4:1:1:	5:4:3:1:	C[3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-5:N[6,6]-4:N[6,6]-3:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[3x6](C[3x6]N[6,6]2CuH)(N[6,6]C[6]2Cu)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH){1|Cu<6>,2|C<4>,2|N<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|Cu<6>,1|C<5>,1|H<1>,1|N<4>,4|C<4>}	C[3x6](C[3x6]N[6,6]2CuH)(N[6,6]C[6]2Cu)(N[6,6]C[6]2)(H){5|H<1>,8|C<4>}	113.5550	0.000	1	113.5550	0.000	1	113.5550	0.000	1	113.5550	0.000	1	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[3x6]	4:4:4:	4:3:4:1:	4:4:3:1:	C[6]-4:C[3x6]-4:C[6]-4:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6](C[6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	N[6,6](C[6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH){1|O<2>,6|C<4>,6|H<1>}	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|N<3>,4|C<4>,7|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|N<3>,4|C<4>}	112.6405	0.023	2	112.6405	0.001	2	112.6405	0.001	2	112.6405	0.001	2	111.4470	3.671	24	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[5a,6]C[6,6])(H)2	C[6,6](N[6,6]C[5a,6]C[6])2(H)2	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[5a,6]C[6])2(H)2{4|C<3>,4|H<1>}	109.2155	0.547	2	109.2155	0.299	2	109.5173	0.279	4	107.6013	0.656	63	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2	C[6,6](N[6,6]C[5a,6]C[6])2(H)2	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,3|N<3>}	C[6,6](N[6,6]C[5a,6]C[6])2(H)2{2|C<3>,2|N<3>,4|H<1>}	109.8190	0.416	2	109.8190	0.173	2	109.5173	0.279	4	107.6013	0.656	63	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	107.5080	0.341	3	107.5046	0.411	53	107.4714	0.416	59	107.6013	0.656	63	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	108.0380	0.000	1	107.5046	0.411	53	107.4714	0.416	59	107.6013	0.656	63	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	107.4569	0.694	40	107.5046	0.411	53	107.4714	0.416	59	107.6013	0.656	63	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	107.5890	0.105	4	107.5046	0.411	53	107.4714	0.416	59	107.6013	0.656	63	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	107.4550	0.109	2	107.5046	0.411	53	107.4714	0.416	59	107.6013	0.656	63	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{1|N<3>,3|H<1>,4|C<3>}	106.9070	0.000	1	107.5046	0.411	53	107.4714	0.416	59	107.6013	0.656	63	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{2|H<1>,2|N<3>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	108.3665	0.302	2	107.5046	0.411	53	107.4714	0.416	59	107.6013	0.656	63	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	106.9155	1.365	2	106.9155	1.864	2	107.4714	0.416	59	107.6013	0.656	63	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	107.3097	0.174	4	107.3097	0.030	4	107.4714	0.416	59	107.6013	0.656	63	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:4:1:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	N[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6]C[6,6])(H)2	C[6,6](N[6,6]C[5,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)(H)	N[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6]C[6,6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[5,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	111.7990	0.000	1	111.7990	0.000	1	111.7990	0.000	1	109.6580	3.703	3	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:C-4:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])2(CCHH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(CCHH)(H){4|C<3>,4|H<1>}	108.5875	0.728	2	108.5875	0.529	2	108.5875	0.529	2	109.6580	3.703	3	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	4:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2{4|C<3>,4|H<1>}	109.6670	0.399	2	109.6670	0.159	2	109.6670	0.159	2	109.6670	0.159	2	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:3:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{1|N<3>,3|H<1>,4|C<3>}	107.2480	0.000	1	107.2480	0.000	1	107.2480	0.000	1	107.2480	0.000	1	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:4:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{2|C<4>,2|H<1>,4|C<3>}	106.3027	0.469	3	106.3027	0.220	3	106.3027	0.220	3	106.3027	0.220	3	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:4:1:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H){2|C<4>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2{1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	109.1253	1.741	3	109.1253	3.033	3	109.1253	3.033	3	109.1253	3.033	3	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,2|C<3>,6|H<1>}	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C-3:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(N[6,6]C[6]2)(H)2{1|O<1>,2|H<1>,4|C<3>}	112.4340	0.000	1	112.4340	0.000	1	112.4340	0.000	1	112.4340	0.000	1	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	3:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]N){2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|N<2>,2|C<4>,6|H<1>}	109.9480	0.000	1	109.9480	0.000	1	110.5607	0.283	3	110.5607	0.283	3	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:3:	3:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]S[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]S[6]N){2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,1|N<2>,1|S<2>,6|H<1>}	110.8670	0.057	2	110.8670	0.003	2	110.5607	0.283	3	110.5607	0.283	3	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:2:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:S[6]-2:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]S[6]HH)2	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]S[6]HH)2{2|C<4>}	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2{1|N<3>,1|S<2>,6|H<1>}	C[6,6](N[6,6]C[6]2)2(H)2{2|S<2>,8|H<1>}	111.6200	0.450	2	111.6200	0.202	2	111.6200	0.202	2	111.6200	0.202	2	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{4|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	C[6,6](N[6,6]C[6]2)2(H)2{2|N<3>,8|H<1>}	107.9221	0.427	12	107.9221	0.182	12	107.9373	0.155	16	107.9373	0.155	16	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{2|C<3>,2|N<3>,6|H<1>}	C[6,6](N[6,6]C[6]2)2(H)2{2|N<3>,8|H<1>}	107.9830	0.325	4	107.9830	0.105	4	107.9373	0.155	16	107.9373	0.155	16	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{5|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	109.4355	1.158	2	109.4355	1.340	2	109.0627	1.082	8	110.8329	4.365	16	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	C[6,6](N[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{1|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	C[6,6](N[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	108.6715	1.283	4	108.6715	1.647	4	109.0627	1.082	8	110.8329	4.365	16	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{5|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|N<4>,6|H<1>}	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	109.4725	0.252	2	109.4725	0.064	2	109.0627	1.082	8	110.8329	4.365	16	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	P[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6,6](P[6,6]C[6]2Cu)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Cu<4>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	C[6,6](P[6,6]C[6]2Cu)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	112.3143	1.371	4	112.3143	1.880	4	112.6030	1.110	8	110.8329	4.365	16	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	P[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6,6](P[6,6]C[6]2Mo)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Mo<9>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	C[6,6](P[6,6]C[6]2Mo)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	112.4235	0.409	2	112.4235	0.168	2	112.6030	1.110	8	110.8329	4.365	16	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	P[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6,6](P[6,6]C[6]2Pt)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Pt<4>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	C[6,6](P[6,6]C[6]2Pt)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	113.3600	0.648	2	113.3600	0.420	2	112.6030	1.110	8	110.8329	4.365	16	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:3:1:1:	4:3:4:1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	110.6065	0.581	2	110.6065	0.337	2	110.6065	0.337	2	110.6065	0.337	2	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:3:3:1:	3:2:4:1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	108.0080	0.190	2	108.0080	0.036	2	109.5480	2.208	5	109.5480	2.208	5	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:3:3:1:	3:2:4:1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	110.4375	0.882	2	110.4375	0.778	2	109.5480	2.208	5	109.5480	2.208	5	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:3:3:1:	3:2:4:1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]O[6]HH)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	110.8490	0.000	1	110.8490	0.000	1	109.5480	2.208	5	109.5480	2.208	5	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:3:3:1:	3:3:2:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H)	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	110.6455	0.954	2	110.6455	0.910	2	110.6455	0.910	2	110.6455	0.910	2	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[6]-4:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	114.3370	0.959	2	114.3370	0.919	2	114.3370	0.919	2	114.3370	0.919	2	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]RhC)(H)2	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH){1|Rh<4>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]RhC)(H)2{1|N<3>,1|P<4>,6|H<1>}	C[6,6](N[6,6]C[6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	109.5630	0.110	2	109.5630	0.012	2	109.5630	0.012	2	111.1956	0.695	16	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:P[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH)	C[6](N[6,6]C[6,6]C[6])(P[6]C[6]RhC)(H)2	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH){1|Rh<4>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(P[6]C[6]RhC)(H)2{1|N<3>,1|N<4>,6|H<1>}	C[6,6](N[6,6]C[6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	111.0375	0.466	2	111.0375	0.217	2	111.4289	0.332	14	111.1956	0.695	16	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:P[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2{1|Fe<6>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2{1|N<3>,1|P<4>,2|C<3>,6|H<1>}	C[6,6](N[6,6]C[6]2)2(H)2{2|P<4>,8|H<1>}	111.4920	0.979	4	111.4941	0.340	12	111.4289	0.332	14	111.1956	0.695	16	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:P[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2{1|Fe<7>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2{1|N<3>,1|P<4>,2|C<3>,6|H<1>}	C[6,6](N[6,6]C[6]2)2(H)2{2|P<4>,8|H<1>}	111.4951	0.352	8	111.4941	0.340	12	111.4289	0.332	14	111.1956	0.695	16	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:4:1:1:	3:3:2:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H)	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H){3|C<4>,6|H<1>}	109.9850	0.231	2	109.5913	0.292	4	109.5913	0.292	4	109.5913	0.292	4	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:4:1:1:	3:3:2:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H)	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H){3|C<4>,6|H<1>}	109.1975	0.450	2	109.5913	0.292	4	109.5913	0.292	4	109.5913	0.292	4	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:4:1:1:	3:3:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	111.0180	0.000	1	111.0180	0.000	1	111.0180	0.000	1	111.0180	0.000	1	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:4:1:1:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:Si[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:C-4:	N[6,6](C[6,6]C[6]2C)(C[6]Si[6]HH)2	C[6](N[6,6]C[6,6]C[6])(Si[6]O[6]CC)(H)2	C[6,6](N[6,6]C[6]2)(C[6]O[6]HH)2(CHHO)	N[6,6](C[6,6]C[6]2C)(C[6]Si[6]HH)2{2|O<2>,4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(Si[6]O[6]CC)(H)2{1|Si<4>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(C[6]O[6]HH)2(CHHO){2|Si<4>,4|H<1>}	113.9170	0.091	2	113.9170	0.008	2	113.9170	0.008	2	113.9170	0.008	2	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-4:H-1:H-1:	P[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]NiC)(H)2	C[6,6](P[6,6]C[6]2Ru)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Ni<4>,1|Ru<8>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]NiC)(H)2{1|N<4>,1|P<4>,6|H<1>}	C[6,6](P[6,6]C[6]2Ru)(N[6,6]C[6]2)(H)2{2|N<4>,8|H<1>}	113.7345	0.128	2	113.7345	0.016	2	113.8278	0.083	6	113.8278	0.083	6	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-4:H-1:H-1:	P[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2	C[6,6](P[6,6]C[6]2Ru)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Ru<8>,1|Zn<4>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2{1|N<4>,1|P<4>,6|H<1>}	C[6,6](P[6,6]C[6]2Ru)(N[6,6]C[6]2)(H)2{2|N<4>,8|H<1>}	114.1465	0.149	2	113.8745	0.124	4	113.8278	0.083	6	113.8278	0.083	6	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-4:H-1:H-1:	P[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2	C[6,6](P[6,6]C[6]2Ru)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Ru<8>,1|Zn<6>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2{1|N<4>,1|P<4>,6|H<1>}	C[6,6](P[6,6]C[6]2Ru)(N[6,6]C[6]2)(H)2{2|N<4>,8|H<1>}	113.6025	0.234	2	113.8745	0.124	4	113.8278	0.083	6	113.8278	0.083	6	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	3:4:4:1:	3:2:4:1:	C[6]-4:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H)	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	114.3460	0.755	2	114.3460	0.570	2	114.3460	0.570	2	114.3460	0.570	2	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:4:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	114.9470	0.000	1	114.9470	0.000	1	114.9470	0.000	1	114.9470	0.000	1	109.2946	5.259	157	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	115.2190	0.000	1	115.2190	0.000	1	115.2190	0.000	1	115.2190	0.000	1	116.4595	3.078	2	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:	3:2:1:1:	3:2:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:S[6]-2:H-1:H-1:	N[6,6]-3:S[6]-2:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]S[6]HH)2	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]S[6]HH)2{2|C<4>}	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2{1|N<3>,1|S<2>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2{1|N<3>,1|S<2>,6|H<1>}	117.7000	0.000	1	117.7000	0.000	1	117.7000	0.000	1	117.7000	0.000	1	116.4595	3.078	2	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[3x6]	C[6]	4:4:1:	4:3:4:3:	3:4:1:1:	C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H)	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2	N[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H){1|N<3>,5|C<4>,8|H<1>}	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	113.2160	0.000	1	113.2160	0.000	1	113.2160	0.000	1	113.2160	0.000	1	113.9901	2.855	9	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[3x6]	C[6]	4:4:1:	4:4:4:3:	3:4:1:1:	C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H)	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	115.3540	0.000	1	115.4065	0.001	4	115.4065	0.001	4	115.4065	0.001	4	113.9901	2.855	9	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[3x6]	C[6]	4:4:1:	4:4:4:3:	3:4:1:1:	C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H)	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H){1|O<1>,4|C<4>,6|H<1>}	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	115.4240	0.000	3	115.4065	0.001	4	115.4065	0.001	4	115.4065	0.001	4	113.9901	2.855	9	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[3x6]	C[6]	4:4:1:	4:4:4:3:	3:4:4:1:	C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6](C[3x6]C[3x6]2C[6])(C[6]C[6]CH)(H)	C[3x6](C[3x6]C[6,6]2H)2(C[6]O[6]HH)(N[6]C[6]H)	C[6](N[6]C[3x6]H)(C[6]O[6]HH)(CH3)(H)	N[6](C[3x6]C[3x6]2C[6])(C[6]C[6]CH)(H){1|O<2>,4|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]2H)2(C[6]O[6]HH)(N[6]C[6]H){4|C<4>,9|H<1>}	C[6](N[6]C[3x6]H)(C[6]O[6]HH)(CH3)(H){3|C<4>}	114.3290	0.000	1	114.3290	0.000	1	114.3290	0.000	1	114.3290	0.000	1	113.9901	2.855	9	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[3x6]	C[6]	4:4:4:	4:4:3:2:	3:4:1:1:	C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:O[6]-2:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(CCHH)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]C)(O[6]C[6])	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(CCHH){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]C)(O[6]C[6]){1|O<1>,4|C<4>,6|H<1>}	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	111.8640	0.000	1	111.8640	0.000	1	111.8640	0.000	1	111.3795	0.469	2	113.9901	2.855	9	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[3x6]	C[6]	4:4:4:	4:4:3:2:	3:4:1:1:	C[3x6]-4:C[6]-4:C-4:	C[5,4x6]-4:C[6,6]-4:N[6]-3:O-2:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[6]HH)(CCHH)	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	N[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[6]HH)(CCHH){4|C<4>,4|H<1>}	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH){1|C<3>,5|C<4>,6|H<1>}	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	110.8950	0.000	1	110.8950	0.000	1	110.8950	0.000	1	111.3795	0.469	2	113.9901	2.855	9	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[3x6]	C[6]	4:4:4:	4:4:4:3:	3:4:1:1:	C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(CCHH)	C[3x6](C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2(N[6]C[6]C)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(CCHH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2(N[6]C[6]C){1|O<1>,4|C<4>,6|H<1>}	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	113.9810	0.000	1	113.9810	0.000	1	113.9810	0.000	1	113.9810	0.000	1	113.9901	2.855	9	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6,6]	4:4:1:	3:4:4:4:	3:4:4:4:	C[6,6]-4:C[6,6]-4:O-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	N[6](C[6,6]C[6]3)2(O)	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3	N[6](C[6,6]C[6]3)2(O){12|H<1>,5|C<4>}	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3{1|N<3>,4|C<4>,5|H<1>}	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3{1|N<3>,4|C<4>,5|H<1>}	125.8970	0.000	1	125.8970	0.000	1	125.8970	0.000	1	125.8970	0.000	1	125.8970	0.000	1	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	3:3:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:H-1:	C[6]-3:C[6a]-3:N[6,6]-3:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]N[6,6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]C[6a]C[6])(C[6]C[6]HH)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H){2|C<4>,4|C<3>,8|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	114.2510	0.000	1	114.2510	0.000	1	114.2510	0.000	1	114.2510	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(H)2	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	111.4885	1.742	2	111.4885	3.033	2	111.4885	3.033	2	111.4885	3.033	2	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	3:4:3:1:	3:4:4:1:	C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:C-4:H-1:	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.1420	0.000	1	112.1420	0.000	1	112.1420	0.000	1	112.1420	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6,6]HH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6,6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	111.8120	0.000	1	111.8120	0.000	1	111.8120	0.000	1	111.8120	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]H)(H){1|N<3>,2|C<4>,9|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	111.8890	0.000	1	111.8890	0.000	1	111.8890	0.000	1	111.8890	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	4:3:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:N[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[3x6]N[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3x6]N[6,6]2H)(N[6]C[6]H)2(CH3)	C[6](C[6]N[6,6]HH)(N[6]C[6,6]H)(H)2	N[6](C[6,6]C[3x6]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,4|H<1>}	C[6,6](C[3x6]N[6,6]2H)(N[6]C[6]H)2(CH3){4|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(N[6]C[6,6]H)(H)2{1|N<3>,3|C<4>}	113.3725	1.582	2	113.3725	2.502	2	113.3725	2.502	2	113.7810	1.081	4	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	4:3:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2{1|Ge<3>,1|C<3>,1|H<1>,2|C<4>}	114.3830	0.000	1	114.1895	0.075	2	114.1895	0.075	2	113.7810	1.081	4	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	4:3:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2{1|Ge<3>,1|C<3>,2|C<4>}	113.9960	0.000	1	114.1895	0.075	2	114.1895	0.075	2	113.7810	1.081	4	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:3:3:1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]H)(C[6]N[6]O)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]H)(C[6]N[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	111.1757	0.140	3	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:3:3:1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	110.9615	0.074	2	110.9615	0.006	2	110.9615	0.006	2	111.1757	0.140	3	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:3:4:3:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:C-4:C-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS){2|C<4>,2|H<1>}	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:4:1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:C-4:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){3|C<4>,6|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	112.2480	0.509	3	112.2480	0.260	3	112.2480	0.260	3	112.2480	0.260	3	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]H)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|S<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.3830	0.000	1	110.3830	0.000	1	110.3830	0.000	1	110.3830	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:3:1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	115.5160	0.000	1	115.5160	0.000	1	115.5160	0.000	1	115.5160	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	4:4:4:3:	3:3:4:1:	C[6]-4:C[6,6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6a]-3:N[6]-3:C[6]-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(H){2|C<4>,4|C<3>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	115.6155	0.132	2	115.6155	0.017	2	115.6155	0.017	2	115.6155	0.017	2	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:	4:4:4:3:	3:4:1:1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]H){2|C<4>,8|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	114.5510	0.071	2	114.5510	0.005	2	114.5510	0.005	2	114.5510	0.005	2	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:2:	3:4:3:1:	4:3:4:4:	C[6,6]-4:C[6]-4:O-2:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]CC)(OC)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6,6]O)(CH3)2	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]CC)(OC){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6,6]O)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	113.1000	0.000	1	113.1000	0.000	1	113.1000	0.000	1	113.1000	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:2:	4:4:3:1:	3:3:4:1:	C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-4:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]O)(C[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(OH){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	111.7640	0.000	1	111.7640	0.000	1	111.7640	0.000	1	111.7640	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	3:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C[6a])(H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,5|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C[6a])(H)2{1|N<3>,2|H<1>,5|C<3>}	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	113.2160	5.703	3	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	3:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:S-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[5,6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(SCO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(SCO){1|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	114.5945	0.064	2	114.5945	0.004	2	114.5945	0.004	2	113.2160	5.703	3	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6,6]-4:C[6]-4:N-3:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:C-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]N)(H)	C[6](N[6]C[6,6]N)(C[6]C[6]HH)(COO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6]N)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	110.1960	0.000	1	110.1960	0.000	1	110.1960	0.000	1	110.1960	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:3:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:C-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|Cl<1>,1|C<3>,2|C<4>,6|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	117.9340	0.000	1	117.9340	0.000	1	117.9340	0.000	1	117.9340	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(COO){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(N[6]C[6,6]C)(H)2{3|H<1>,5|C<4>}	112.9340	0.000	1	112.9340	0.000	1	112.9340	0.000	1	112.9340	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH){1|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{1|N<3>,2|H<1>,3|C<3>}	107.9830	0.000	1	107.9830	0.000	1	107.9830	0.000	1	107.9830	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H)	C[6](N[6]C[6,6]S)(C[6]N[6]CH)(H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6,6]S)(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	113.7445	0.971	2	113.7445	0.943	2	113.7445	0.943	2	113.7445	0.943	2	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3){1|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	112.1982	2.012	6	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	112.4167	0.747	3	112.4167	0.558	3	112.4167	0.558	3	112.1982	2.012	6	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:S-4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	112.9780	0.000	1	113.1755	0.078	2	113.1755	0.078	2	112.1982	2.012	6	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:S-4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	113.3730	0.000	1	113.1755	0.078	2	113.1755	0.078	2	112.1982	2.012	6	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:3:3:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	113.4850	0.000	1	113.4850	0.000	1	113.4850	0.000	1	113.4850	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:3:4:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3){2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.0720	0.000	1	110.7967	1.055	3	110.7967	1.055	3	110.7967	1.055	3	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.1590	1.150	2	110.7967	1.055	3	110.7967	1.055	3	110.7967	1.055	3	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	112.7490	0.000	1	112.7490	0.000	1	112.1510	0.715	2	111.7442	3.204	13	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[5,3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	111.5530	0.000	1	111.5530	0.000	1	112.1510	0.715	2	111.7442	3.204	13	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	111.7442	3.204	13	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	111.2575	0.060	2	111.2575	0.004	2	111.2575	0.004	2	111.7442	3.204	13	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	109.6280	0.000	1	110.7705	2.611	2	110.7705	2.611	2	111.7442	3.204	13	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	111.9130	0.000	1	110.7705	2.611	2	110.7705	2.611	2	111.7442	3.204	13	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,4|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	111.0445	0.081	2	111.0445	0.007	2	111.0445	0.007	2	111.7442	3.204	13	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	N[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	112.1465	1.208	2	112.1465	1.460	2	112.1465	1.460	2	111.7442	3.204	13	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:S-4:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]S)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(H)2	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	114.7710	0.296	2	114.7710	0.087	2	114.7710	0.087	2	111.7442	3.204	13	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	3:4:3:3:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6]-3:N[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(CCHH){1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,3|C<3>}	111.4920	0.000	1	111.4920	0.000	1	111.4920	0.000	1	111.4920	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:2:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	112.7630	0.000	1	113.3795	0.760	2	113.3795	0.760	2	113.3795	0.760	2	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:2:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	113.9960	0.000	1	113.3795	0.760	2	113.3795	0.760	2	113.3795	0.760	2	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:3:2:1:	3:4:1:1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[6,6]C[6]2H)(N[6]C[6]S)(O[6]C[6])(H)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(SC[6a]OO){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6]S)(O[6]C[6])(H){1|C<3>,2|C<4>,7|H<1>}	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.0690	0.000	1	115.0690	0.000	1	115.0690	0.000	1	115.0690	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:3:2:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6]C)(O[6]C[6])(CH3)	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6]C)(O[6]C[6])(CH3){3|C<4>,4|H<1>}	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	112.1280	0.040	2	112.1280	0.002	2	112.1280	0.002	2	112.1280	0.002	2	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	109.0282	0.414	4	109.0282	0.171	4	109.0282	0.171	4	110.9372	4.299	10	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.5558	0.513	5	111.5558	0.263	5	111.5558	0.263	5	110.9372	4.299	10	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]S)(H)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]S)(H){3|C<4>,6|H<1>}	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	115.4800	0.000	1	115.4800	0.000	1	115.4800	0.000	1	110.9372	4.299	10	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH)	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(N[6]C[6,6]C)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	114.0980	0.000	1	114.0980	0.000	1	114.0980	0.000	1	112.8982	0.964	6	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[4x6]N[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[4x6]C[6,6a]C[4x6]C[6])(N[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6]C[4x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[4x6]N[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[6,6a]C[4x6]C[6])(N[6]C[6,6a]H)(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	111.8760	0.618	2	111.8760	0.382	2	111.8760	0.382	2	112.8982	0.964	6	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	112.8982	0.964	6	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]H)(N[6]C[6]S)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2{1|C<3>,1|H<1>,3|C<4>}	113.4495	0.486	2	113.4495	0.236	2	113.4495	0.236	2	112.8982	0.964	6	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:3:3:4:	3:3:1:1:	C[6,6]-4:C[6]-4:S-4:	C[4,6,6]-4:C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]H)(N[6]C[6]S)(CH3)	C[6](C[6]C[4,6]H)(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[4,6]H)(N[6]C[6,6]S)(H)2{1|C<3>,3|C<4>}	114.1870	0.000	1	114.1870	0.000	1	114.1870	0.000	1	114.1870	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CH3)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CH3){3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	107.5110	0.000	1	107.5110	0.000	1	107.5110	0.000	1	111.2321	8.583	7	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	110.7177	0.308	3	110.7177	0.095	3	110.7177	0.095	3	111.2321	8.583	7	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6,6]-4:Ga[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3)	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3){1|Ga<4>,1|N<4>,5|C<4>}	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H){1|N<3>,4|H<1>,5|C<4>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<4>,3|H<1>}	112.4120	0.000	1	112.4120	0.000	1	112.4120	0.000	1	111.2321	8.583	7	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:P-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(PNNO)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(N[6]C[6]P)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]P)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(PNNO){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(N[6]C[6]P)(H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]P)(H)2{2|C<3>,2|C<4>,2|H<1>}	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	111.2321	8.583	7	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	111.2321	8.583	7	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:3:4:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6,6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-4:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]CC)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,4|C<4>,5|C<3>}	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,5|H<1>}	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	108.2470	0.000	1	108.2470	0.000	1	111.1781	1.422	10	111.6071	2.972	12	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	111.3760	0.000	1	111.3760	0.000	1	111.1781	1.422	10	111.6071	2.972	12	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<4>,8|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	111.7528	0.740	4	111.7528	0.548	4	111.1781	1.422	10	111.6071	2.972	12	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	110.5510	0.000	1	110.5510	0.000	1	111.1781	1.422	10	111.6071	2.972	12	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	111.0210	0.000	1	111.0210	0.000	1	111.1781	1.422	10	111.6071	2.972	12	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	111.7875	0.202	2	111.7875	0.041	2	111.1781	1.422	10	111.6071	2.972	12	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]S)(H)	C[6](N[6]C[6,6]S)(C[6]C[6]CH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6]S)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	115.8560	0.000	1	115.8560	0.000	1	113.7520	8.854	2	111.6071	2.972	12	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]S)(H)	C[6](N[6]C[6,6]S)(C[6]C[6]FH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|F<1>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]S)(H){2|C<4>,4|H<1>}	C[6](N[6]C[6,6]S)(C[6]C[6]FH)(H)2{2|C<4>,3|H<1>}	111.6480	0.000	1	111.6480	0.000	1	113.7520	8.854	2	111.6071	2.972	12	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	3:4:3:1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:C-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](N[6]C[6,6]S)(C[6]O[6]HH)(CCC)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6,6]S)(C[6]O[6]HH)(CCC)(H){1|H<1>,2|C<4>}	117.8220	0.000	1	117.8220	0.000	1	117.8220	0.000	1	117.8220	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	113.9410	0.000	1	112.7685	2.750	2	112.9334	0.786	30	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	111.5960	0.000	1	112.7685	2.750	2	112.9334	0.786	30	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	112.4750	0.631	2	112.4750	0.398	2	112.9334	0.786	30	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	114.1650	0.000	1	114.1650	0.000	1	112.9334	0.786	30	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	113.5930	0.000	1	113.2360	0.852	10	112.9334	0.786	30	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	113.1963	0.970	9	113.2360	0.852	10	112.9334	0.786	30	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	112.5056	0.755	5	112.7326	0.605	15	112.9334	0.786	30	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	112.8461	0.803	10	112.7326	0.605	15	112.9334	0.786	30	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[4,4x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[4,4x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[4,4x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	111.3600	0.000	1	111.3600	0.000	1	111.3600	0.000	1	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	114.4180	0.000	1	116.7022	3.032	4	116.7022	3.032	4	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	117.4637	1.034	3	116.7022	3.032	4	116.7022	3.032	4	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	110.7045	1.034	2	111.4464	0.598	7	111.4464	0.598	7	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	111.7432	0.494	5	111.4464	0.598	7	111.4464	0.598	7	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	110.4150	0.000	1	110.4150	0.000	1	112.4383	3.423	3	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(N[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	114.0440	0.000	1	114.0440	0.000	1	112.4383	3.423	3	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	112.8560	0.000	1	112.8560	0.000	1	112.4383	3.423	3	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:S-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CH)(N[6]C[6]S)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CH)(N[6]C[6]S)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6]C[6,6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	117.4330	0.000	1	117.4330	0.000	1	117.4330	0.000	1	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	114.7200	0.000	1	114.7200	0.000	1	114.7200	0.000	1	113.1013	3.042	47	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:1:	4:3:3:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCHH)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCHH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){3|C<4>,3|H<1>,4|C<3>}	110.7695	0.409	2	110.7695	0.168	2	110.7695	0.168	2	110.7695	0.168	2	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:2:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:N[6]-3:O-2:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH){4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	112.9100	0.000	1	112.9100	0.000	1	112.9100	0.000	1	112.4200	0.480	2	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:2:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:C-2:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(CC)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CC[6a]HH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(CC){4|C<4>,6|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	112.4200	0.480	2	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(SC[6a]OO){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S){2|C<4>,8|H<1>}	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	117.0213	0.084	3	117.0213	0.007	3	116.8480	0.125	4	116.8480	0.125	4	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S)	C[6](N[6]C[6,6]S)(C[6]C[6]HO)(H)2	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(SC[6a]OO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S){2|C<4>,8|H<1>}	C[6](N[6]C[6,6]S)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.3280	0.000	1	116.3280	0.000	1	116.8480	0.125	4	116.8480	0.125	4	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3){3|C<4>,7|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	113.7820	0.358	2	113.7820	0.128	2	113.7820	0.128	2	113.7820	0.128	2	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:	4:4:4:3:	3:4:1:1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(N[6]C[6]S)	C[6](N[6]C[6,6]S)(C[6]N[6]HH)(H)2	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,2|C<4>,8|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(N[6]C[6]S){1|C<3>,2|C<4>,6|H<1>}	C[6](N[6]C[6,6]S)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	112.6415	4.676	162	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6,6]	4:4:1:	3:3:3:1:	4:4:3:1:	C[6,6]-4:C[6]-4:H-1:	C[5,6]-3:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H)	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6]H)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	110.6570	0.025	2	110.6570	0.001	2	110.6570	0.001	2	111.0103	0.375	3	112.0770	5.389	9	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6,6]	4:4:1:	3:3:3:1:	4:4:3:1:	C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(COO)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H){2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(COO)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	111.7170	0.000	1	111.7170	0.000	1	111.7170	0.000	1	111.0103	0.375	3	112.0770	5.389	9	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6,6]	4:4:1:	4:3:1:1:	4:4:3:1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(N[6]C[6]H)(H){2|C<4>,5|H<1>}	114.7960	0.000	1	114.7960	0.000	1	114.7960	0.000	1	114.7960	0.000	1	112.0770	5.389	9	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6,6]	4:4:3:	4:3:3:1:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-4:O[6]-2:H-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<2>,2|O<1>,3|H<1>,7|C<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H){1|C<4>,3|H<1>,7|C<3>}	114.7710	0.000	1	114.7710	0.000	1	114.7710	0.000	1	114.7710	0.000	1	112.0770	5.389	9	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6,6]	4:4:4:	4:3:3:1:	4:2:3:1:	C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH){1|H<1>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	113.8900	0.786	2	113.8900	0.618	2	113.8900	0.618	2	113.8900	0.618	2	112.0770	5.389	9	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6,6]	4:4:4:	4:3:3:1:	4:4:3:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|P<4>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	108.9850	0.000	1	109.1575	0.060	2	109.1575	0.060	2	109.1575	0.060	2	112.0770	5.389	9	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6,6]	4:4:4:	4:3:3:1:	4:4:3:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|Pd<4>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	109.3300	0.000	1	109.1575	0.060	2	109.1575	0.060	2	109.1575	0.060	2	112.0770	5.389	9	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:2:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:S[6]-2:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(S[6]C[6])(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]HH){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|H<1>,2|S<2>}	C[6](N[6]C[6a]C[6])(S[6]C[6])(H)2{1|S<2>,2|H<1>,3|C<3>}	110.7360	0.000	1	110.7360	0.000	1	110.7360	0.000	1	110.7360	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])2(H)2{3|H<1>,5|C<3>}	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	109.7712	2.266	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	108.3173	0.675	3	108.3173	0.455	3	109.7780	2.471	12	109.7712	2.266	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	109.7545	0.469	2	109.7545	0.220	2	109.7780	2.471	12	109.7712	2.266	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	110.4873	1.983	3	110.4107	2.808	7	109.7780	2.471	12	109.7712	2.266	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	110.3533	1.727	4	110.4107	2.808	7	109.7780	2.471	12	109.7712	2.266	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]H)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	110.2635	0.422	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]H)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{2|H<1>,3|C<3>}	110.7230	0.000	1	110.7230	0.000	1	110.7230	0.000	1	110.2635	0.422	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:B[6]-3:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	109.7895	0.631	2	109.7895	0.399	2	110.3057	0.999	3	109.9643	0.659	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:B[6]-3:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	111.3380	0.000	1	111.3380	0.000	1	110.3057	0.999	3	109.9643	0.659	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	109.3050	0.000	1	109.7082	0.448	4	109.7082	0.448	4	109.9643	0.659	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	109.4385	0.385	2	109.7082	0.448	4	109.7082	0.448	4	109.9643	0.659	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<4>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	110.6510	0.000	1	109.7082	0.448	4	109.7082	0.448	4	109.9643	0.659	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(N[6]C[6]P)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]P)(H)2{1|C<4>,2|C<3>,4|H<1>}	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]B[5,5a]C[5,5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]B[5,5a]C[5,5])(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|N<4>,2|O<2>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	109.8530	0.000	1	109.8530	0.000	1	109.8667	0.210	3	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2{1|N<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	109.4150	0.000	1	109.4150	0.000	1	109.8667	0.210	3	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5]N[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[5]C[5]N[5])(C[6]C[6]HH)2{1|N<3>,1|S<1>,2|S<2>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	110.3320	0.000	1	110.3320	0.000	1	109.8667	0.210	3	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2{1|N<3>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.0550	0.000	1	110.0550	0.000	1	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2{1|N<3>,1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	113.8300	0.000	1	111.6180	3.670	3	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2{1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	110.4900	0.000	1	111.6180	3.670	3	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2{1|N<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	110.5340	0.000	1	111.6180	3.670	3	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	111.3055	1.940	2	111.3055	3.762	2	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	113.3037	0.204	4	113.1424	0.161	5	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	112.4970	0.000	1	113.1424	0.161	5	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.3850	0.000	1	111.5610	1.349	7	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|N<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	112.0330	0.134	2	111.5610	1.349	7	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.1730	0.000	1	111.5610	1.349	7	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|O<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	111.0290	0.000	1	111.5610	1.349	7	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|N<2>,1|S<2>,2|O<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	111.7480	0.000	1	111.5610	1.349	7	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{2|N<2>,2|O<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	112.5260	0.000	1	111.5610	1.349	7	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	115.8980	0.000	1	114.0167	3.529	3	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	114.0110	0.000	1	114.0167	3.529	3	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	112.1410	0.000	1	114.0167	3.529	3	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	112.1990	0.000	1	112.1990	0.000	1	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]N[5a,6a]C[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]N[5a,6a]C[5a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	108.2270	0.000	1	108.2270	0.000	1	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]CH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	114.1260	0.000	1	114.1260	0.000	1	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	110.8100	0.000	1	110.8100	0.000	1	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	115.8140	0.820	2	115.8140	0.673	2	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	114.5820	0.000	1	114.5820	0.000	1	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	114.3640	0.313	2	114.3640	0.098	2	112.5503	3.827	30	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.8540	0.000	1	111.8540	0.000	1	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	109.0422	0.334	4	109.0422	0.112	4	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|S<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	112.0730	0.000	1	112.0730	0.000	1	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]C[6a,6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a,6a])(C[6]C[6]HH)2{2|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	114.2010	0.000	1	114.2010	0.000	1	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.8390	0.000	1	111.8390	0.000	1	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	112.3760	0.000	1	109.4828	2.669	5	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	108.4220	0.000	1	109.4828	2.669	5	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.8720	0.175	3	109.4828	2.669	5	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	108.9690	0.000	1	108.9690	0.000	1	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	110.4150	0.000	1	109.8665	0.602	2	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	109.3180	0.000	1	109.8665	0.602	2	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.2547	0.093	3	111.2547	0.009	3	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	111.5197	0.646	3	111.2180	0.785	5	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.6660	0.000	1	111.2180	0.785	5	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	109.8650	0.000	1	111.2180	0.785	5	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<3>,1|O<1>,1|O<2>,2|N<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	110.7530	0.000	1	109.9680	1.232	2	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	109.1830	0.000	1	109.9680	1.232	2	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	115.1170	0.000	1	115.1170	0.000	1	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	110.4575	1.253	6	110.9061	1.932	9	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.0045	0.398	2	110.9061	1.932	9	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	113.4010	0.000	1	110.9061	1.932	9	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	110.9400	0.325	2	109.5043	1.538	6	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	108.1980	0.008	2	109.5043	1.538	6	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	109.3750	0.124	2	109.5043	1.538	6	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	111.4280	0.000	1	109.8324	1.688	5	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	109.4335	1.091	4	109.8324	1.688	5	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	111.1740	0.000	1	111.7668	0.463	5	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	111.9150	0.686	4	111.7668	0.463	5	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	109.3695	1.248	2	109.3695	1.558	2	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.2060	0.000	1	111.2060	0.000	1	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	110.4130	0.000	1	112.2038	2.308	31	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.7150	0.000	1	112.2038	2.308	31	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	110.6210	0.000	1	112.2038	2.308	31	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.5884	0.928	7	112.2038	2.308	31	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.8566	0.982	5	112.2038	2.308	31	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.5980	0.000	1	112.2038	2.308	31	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	113.7957	1.909	6	112.2038	2.308	31	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	113.6050	0.000	1	112.2038	2.308	31	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	113.1550	0.000	1	112.2038	2.308	31	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.1053	1.057	3	112.2038	2.308	31	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.1960	0.000	1	112.2038	2.308	31	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	110.2490	0.000	1	112.2038	2.308	31	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{3|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	111.1375	0.213	2	112.2038	2.308	31	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	113.1840	0.658	2	112.9307	0.409	3	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.4240	0.000	1	112.9307	0.409	3	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.1430	0.000	1	113.5500	3.959	2	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,2|F<1>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	114.9570	0.000	1	113.5500	3.959	2	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	108.6180	0.277	2	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	110.9040	0.000	1	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	109.6213	0.463	6	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	109.5060	0.209	2	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	108.8920	0.512	3	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	109.9540	0.000	1	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.8432	0.157	4	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	111.7550	0.658	2	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	110.6390	0.596	4	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	110.7273	1.335	7	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	110.9977	0.605	31	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.3776	1.248	5	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	110.3120	0.000	1	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	110.2727	0.592	7	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	110.1620	0.322	4	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|S<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	110.0690	0.132	2	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	110.7660	0.412	2	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	110.6923	1.383	21	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	112.1176	1.891	19	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	109.9330	0.515	6	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.0387	0.215	4	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|S<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	109.9253	0.704	7	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Al<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Al<4>,2|C<3>,2|C<4>,2|H<1>}	111.2090	1.188	2	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	110.5235	0.775	13	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.1983	1.062	6	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|N<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	109.8660	0.641	2	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|N<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	111.4400	0.000	1	110.6241	1.631	165	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|B<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	108.7340	0.000	1	110.1922	1.836	43	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	109.2717	0.574	3	110.1922	1.836	43	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	110.1910	0.000	1	110.1922	1.836	43	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|N<2>,1|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	111.3780	0.000	1	110.1922	1.836	43	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	110.3910	0.000	1	110.1922	1.836	43	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	110.5043	0.781	3	110.1922	1.836	43	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	109.7678	0.769	6	110.1922	1.836	43	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	109.2887	0.623	10	110.1922	1.836	43	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|O<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	111.0495	0.496	2	110.1922	1.836	43	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	111.8318	1.478	10	110.1922	1.836	43	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	109.2780	0.439	4	110.1922	1.836	43	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	109.2190	0.000	1	110.1922	1.836	43	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|S<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	112.7480	0.818	4	112.7480	0.669	4	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	113.3020	0.000	1	112.9610	1.123	9	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	113.9390	0.000	1	112.9610	1.123	9	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	113.3747	1.325	3	112.9610	1.123	9	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	112.5393	0.917	3	112.9610	1.123	9	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	111.6660	0.000	1	112.9610	1.123	9	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.2080	0.264	3	111.2293	0.048	4	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.2930	0.000	1	111.2293	0.048	4	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	112.4130	0.000	1	112.2269	0.473	14	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	112.4910	0.000	1	112.2269	0.473	14	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	112.5950	0.000	1	112.2269	0.473	14	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	112.4183	0.235	3	112.2269	0.473	14	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	112.7427	0.763	3	112.2269	0.473	14	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	112.0040	0.000	1	112.2269	0.473	14	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	111.5475	0.781	4	112.2269	0.473	14	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|Br<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	109.2570	0.000	1	112.0082	4.894	13	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	110.0750	0.000	1	112.0082	4.894	13	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	113.6810	1.598	2	112.0082	4.894	13	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	112.9800	0.000	1	112.0082	4.894	13	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	109.6210	0.000	1	112.0082	4.894	13	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	109.7775	0.602	2	112.0082	4.894	13	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	113.4512	1.725	5	112.0082	4.894	13	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	112.8210	0.000	1	112.3515	0.441	2	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	111.8820	0.000	1	112.3515	0.441	2	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	113.6975	2.770	2	113.0690	2.469	7	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,2|N<2>}	112.5780	1.489	2	113.0690	2.469	7	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	113.9920	0.000	1	113.0690	2.469	7	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,2|N<2>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,2|N<2>,3|H<1>}	112.4700	1.444	2	113.0690	2.469	7	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	109.5650	0.997	2	111.0350	2.452	9	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	112.9090	0.753	3	111.0350	2.452	9	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	110.3645	0.527	4	111.0350	2.452	9	111.0002	2.524	361	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	N[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]N[5a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]N[5a]C[6])(C[6]O[6]HH)(H)2	N[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[6](N[6]N[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]N[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	110.0225	1.033	2	110.0225	1.067	2	110.0225	1.067	2	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	N[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](N[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]N[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]N[6a]C[6])(C[6]O[6]HH)(H)2	N[6](N[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]N[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]N[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	111.1064	2.767	397	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:3:1:	3:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-3:H-1:	N[6]-3:C[6]-3:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CN[5]O)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH){3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CN[5]O)(H){3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	118.4010	0.000	1	118.4010	0.000	1	118.4010	0.000	1	118.4010	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:4:4:	3:4:4:4:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<3>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	118.3885	0.957	2	119.5468	1.594	5	119.5468	1.594	5	119.5468	1.594	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:4:4:	3:4:4:4:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	119.8080	0.000	1	119.5468	1.594	5	119.5468	1.594	5	119.5468	1.594	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:4:4:	3:4:4:4:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|C<4>,1|I<1>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	120.0290	0.000	1	119.5468	1.594	5	119.5468	1.594	5	119.5468	1.594	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:4:4:	3:4:4:4:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	121.1200	0.000	1	119.5468	1.594	5	119.5468	1.594	5	119.5468	1.594	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.4060	0.419	2	111.7573	0.458	3	111.6320	1.276	7	111.6320	1.276	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	112.4600	0.000	1	111.7573	0.458	3	111.6320	1.276	7	111.6320	1.276	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	111.5910	0.000	1	111.5910	0.000	1	111.6320	1.276	7	111.6320	1.276	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.4865	0.490	2	110.4865	0.240	2	111.6320	1.276	7	111.6320	1.276	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]O[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	113.5880	0.000	1	113.5880	0.000	1	111.6320	1.276	7	111.6320	1.276	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:2:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6](N[6]C[6a]C[6])(O[6]C[6,6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6,6])(H)2{2|H<1>,4|C<3>}	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	109.9515	3.274	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:2:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	109.9515	3.274	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:3:1:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	110.3943	1.010	7	110.3943	1.020	7	110.3943	1.020	7	110.3943	1.020	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(H)2	C[6](C[6]N[5a,6]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]N[5a,6]HH)(N[6]C[6a]C[6])(H)2{2|H<1>,4|C<3>}	110.1870	0.000	1	110.1870	0.000	1	110.1870	0.000	1	110.1870	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:2:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,4|C<3>}	112.3860	0.380	2	112.3860	0.145	2	112.3860	0.145	2	112.3860	0.145	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,7|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	111.8025	1.555	2	111.8025	2.418	2	111.8025	2.418	2	113.6235	7.657	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	120.0240	0.000	1	120.0240	0.000	1	114.9645	51.197	2	113.6235	7.657	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	109.9050	0.000	1	109.9050	0.000	1	114.9645	51.197	2	113.6235	7.657	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	116.5790	0.000	1	116.5790	0.000	1	116.5790	0.000	1	113.6235	7.657	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	112.8513	0.762	6	113.2610	4.745	18	113.2610	4.745	18	113.6235	7.657	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	114.4457	0.839	3	113.2610	4.745	18	113.2610	4.745	18	113.6235	7.657	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	112.0420	0.562	3	113.2610	4.745	18	113.2610	4.745	18	113.6235	7.657	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|F<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	113.0775	0.090	2	113.2610	4.745	18	113.2610	4.745	18	113.6235	7.657	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	110.7090	0.000	1	113.2610	4.745	18	113.2610	4.745	18	113.6235	7.657	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	113.1120	0.000	1	113.2610	4.745	18	113.2610	4.745	18	113.6235	7.657	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	116.0755	6.602	2	113.2610	4.745	18	113.2610	4.745	18	113.6235	7.657	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,4|C<3>}	118.1520	0.000	1	118.1520	0.000	1	118.1520	0.000	1	113.6235	7.657	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	113.5100	0.000	1	113.5100	0.000	1	113.5100	0.000	1	113.5100	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[5a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	111.7170	0.000	1	111.7170	0.000	1	115.6240	30.529	2	114.3273	20.309	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	119.5310	0.000	1	119.5310	0.000	1	115.6240	30.529	2	114.3273	20.309	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|F<1>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H){1|O<1>,1|S<2>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	111.7340	0.000	1	111.7340	0.000	1	111.7340	0.000	1	114.3273	20.309	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6,6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[6]C[6a]C[6])2(H)2{1|C<4>,4|C<3>,4|H<1>}	111.2685	2.320	2	111.2685	5.382	2	111.2685	5.382	2	111.2685	5.382	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:4:1:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:C[6]-4:H-1:	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(C[6]N[6]2H)(H)	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])2(C[6]N[6]2H)(H){3|C<4>,4|H<1>,6|C<3>}	117.0430	3.075	2	117.0430	9.453	2	117.0430	9.453	2	115.1380	8.166	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:4:1:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:Si-4:H-1:	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(SiC[6a]HH)(H)	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])2(SiC[6a]HH)(H){1|C<4>,4|C<3>,4|H<1>}	113.2330	0.728	2	113.2330	0.530	2	113.2330	0.530	2	115.1380	8.166	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-3:C[6]-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.2400	0.000	1	110.2400	0.000	1	110.2400	0.000	1	112.2837	1.921	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[5a,6]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	113.0160	0.000	1	113.0160	0.000	1	113.0160	0.000	1	112.2837	1.921	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	112.6320	0.000	1	112.6320	0.000	1	112.6320	0.000	1	112.2837	1.921	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	113.2470	0.000	1	113.2470	0.000	1	113.2470	0.000	1	112.2837	1.921	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](C[5,6]C[5,6]C[6a]N[5])(N[6]C[6a]C[6])(H)2	C[6](N[6]C[6a]C[6])(N[6]C[5,6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[6a]N[5])(N[6]C[6a]C[6])(H)2{1|C<4>,2|N<3>,3|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[5,6]S)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.9160	0.000	1	113.9160	0.000	1	113.9160	0.000	1	113.9160	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	111.5370	0.000	1	111.5370	0.000	1	111.5370	0.000	1	111.3455	0.073	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6]C[6]2N[6])(N[6]C[6a]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6]2N[6])(N[6]C[6a]C[6])(H)2{1|S<4>,2|C<3>,3|C<4>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	111.1540	0.000	1	111.1540	0.000	1	111.1540	0.000	1	111.3455	0.073	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	112.4100	0.400	2	112.4100	0.160	2	112.4100	0.160	2	112.4100	0.160	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){2|C<3>,2|H<1>}	109.7785	0.011	2	109.7785	0.000	2	109.7785	0.000	2	109.7785	0.000	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>}	112.1930	0.000	1	112.1930	0.000	1	112.1930	0.000	1	112.1930	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:2:3:	4:3:4:4:	C[6]-4:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-2:C-3:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6a]N[6]C)(C[6]C[6]CC)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	N[6](C[6]C[6a]N[6]C)(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|N<2>,3|C<3>}	115.9580	0.000	1	115.9580	0.000	1	115.9580	0.000	1	115.9580	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	2:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCHH)(H){1|H<1>,3|C<3>}	111.9390	0.000	1	111.9390	0.000	1	111.9390	0.000	1	111.9390	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	3:2:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:O[6]-2:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|N<2>,3|H<1>,4|C<3>}	111.5230	0.000	1	111.2477	0.550	6	111.2477	0.550	6	112.0800	5.308	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	3:2:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:O[6]-2:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|Cl<1>,2|H<1>,5|C<3>}	111.4020	0.000	1	111.2477	0.550	6	111.2477	0.550	6	112.0800	5.308	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	3:2:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:O[6]-2:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|Cl<1>,1|H<1>,5|C<3>}	110.9580	0.000	1	111.2477	0.550	6	111.2477	0.550	6	112.0800	5.308	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	3:2:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:O[6]-2:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	111.2010	1.131	3	111.2477	0.550	6	111.2477	0.550	6	112.0800	5.308	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	3:2:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:S[6]-2:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]H)(H){1|Cl<1>,1|S<2>,2|H<1>,4|C<3>}	117.0740	0.000	1	117.0740	0.000	1	117.0740	0.000	1	112.0800	5.308	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]C[6]H)(H){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){1|H<1>,5|C<3>}	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	113.7893	0.950	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){1|H<1>,1|S<2>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H){1|O<2>,3|H<1>,4|C<3>}	114.1063	0.906	3	114.1063	0.822	3	114.1063	0.822	3	113.7893	0.950	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]H)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H){1|N<3>,5|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]H)(H)2{1|H<1>,5|C<3>}	115.9470	0.000	2	115.9470	0.000	2	115.0193	2.582	3	113.0498	6.811	9	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|H<1>,3|C<3>}	113.1640	0.000	1	113.1640	0.000	1	115.0193	2.582	3	113.0498	6.811	9	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|H<1>,3|C<3>}	109.5820	0.000	1	110.6900	2.455	2	110.6900	2.455	2	113.0498	6.811	9	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|H<1>,3|C<3>}	111.7980	0.000	1	110.6900	2.455	2	110.6900	2.455	2	113.0498	6.811	9	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	116.6450	0.000	1	116.6450	0.000	1	112.7525	7.913	4	113.0498	6.811	9	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	110.7250	0.583	2	110.7250	0.339	2	112.7525	7.913	4	113.0498	6.811	9	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,4|C<4>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	112.9150	0.000	1	112.9150	0.000	1	112.7525	7.913	4	113.0498	6.811	9	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|H<1>,3|C<3>}	113.5200	0.000	1	113.2410	0.156	2	114.0767	2.173	3	112.4976	5.474	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|H<1>,3|C<3>}	112.9620	0.000	1	113.2410	0.156	2	114.0767	2.173	3	112.4976	5.474	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]H)(COO)(H){1|H<1>,1|N<3>,2|C<3>}	115.7480	0.000	1	115.7480	0.000	1	114.0767	2.173	3	112.4976	5.474	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H){1|H<1>,3|C<3>}	111.3132	2.266	4	111.3132	5.136	4	111.3132	5.136	4	112.4976	5.474	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H){1|H<1>,3|C<3>}	110.9970	0.000	1	110.9970	0.000	1	111.0795	0.014	2	111.0795	0.014	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|H<1>,3|C<3>}	111.1620	0.000	1	111.1620	0.000	1	111.0795	0.014	2	111.0795	0.014	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:3:	3:2:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6]H)(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO){1|O<2>,4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|H<1>,6|C<3>}	112.9270	0.000	1	112.9270	0.000	1	112.9270	0.000	1	113.3400	0.341	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:3:	3:2:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:C-3:C-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(COO)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(COO)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|H<1>,6|C<3>}	113.7530	0.000	1	113.7530	0.000	1	113.7530	0.000	1	113.3400	0.341	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:3:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2{1|C<4>,4|C<3>,7|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	113.0995	0.373	2	113.0995	0.139	2	112.9443	0.200	6	112.9443	0.200	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:3:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|N<2>,3|C<4>}	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2{1|C<4>,4|C<3>,6|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	112.9620	0.116	2	112.9620	0.013	2	112.9443	0.200	6	112.9443	0.200	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:3:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2{1|C<4>,4|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	112.7715	0.859	2	112.7715	0.738	2	112.9443	0.200	6	112.9443	0.200	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:4:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[5a]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[5a]C)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5a,6]C[5a]C)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|C<3>}	111.5830	0.000	1	111.5830	0.000	1	111.5830	0.000	1	111.8397	0.935	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:3:4:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	111.9680	1.331	2	111.9680	1.771	2	111.9680	1.771	2	111.8397	0.935	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	111.1690	2.222	2	111.1690	4.936	2	111.1690	4.936	2	111.0447	2.514	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	110.7960	0.000	1	110.7960	0.000	1	110.7960	0.000	1	111.0447	2.514	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:4:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(CNO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(CNO)(H){1|C<4>,1|H<1>,2|C<3>}	118.7480	0.000	1	118.7480	0.000	1	116.4630	10.442	2	116.4630	10.442	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:4:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	114.1780	0.000	1	114.1780	0.000	1	116.4630	10.442	2	116.4630	10.442	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:4:3:	3:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6,6a]HH)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(N[6]C[6]H)(CCHH)(CNO)	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[6]C[6]H)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6,6a]HH)(H){3|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(N[6]C[6]H)(CCHH)(CNO){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	116.9010	0.000	1	116.9010	0.000	1	116.9010	0.000	1	116.9010	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:4:3:	3:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6]-3:N[6]-3:C-3:H-1:	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCH)(H)	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H){5|H<1>,6|C<3>}	C[6](C[6]O[6]O)(N[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>}	111.5235	0.302	2	111.5235	0.091	2	111.5235	0.091	2	111.5235	0.091	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:4:3:	3:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6](C[6]O[6]H)(N[6]C[6]H)(CH3)(CNO)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H){1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]H)(N[6]C[6]H)(CH3)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,2|C<3>}	111.7465	0.660	2	111.7465	0.435	2	111.7465	0.435	2	112.7530	3.257	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:4:3:	3:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>}	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1	112.7530	3.257	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:C-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|C<4>,3|C<3>}	112.6930	0.000	1	112.6930	0.000	1	112.6930	0.000	1	112.6930	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:4:3:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]CC)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,3|C<3>}	113.2890	0.000	1	113.2890	0.000	1	113.2890	0.000	1	113.2890	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCHH)(CF3)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCHH)(CF3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{2|C<3>,2|C<4>}	116.5710	0.000	1	116.5710	0.000	1	116.5710	0.000	1	116.5710	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:2:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O[6]-2:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(O[6]C[6])(H)2	N[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	112.0120	0.000	1	112.0120	0.000	1	112.0120	0.000	1	112.0120	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:2:4:1:	C[6]-4:C[6]-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O[6]-2:C-4:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]O[6]CH)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(O[6]C[6])(CCCH)(H)	N[6](C[6]C[5a]C[6]H)(C[6]O[6]CH)(H){1|N<2>,1|N<3>,3|C<4>}	C[6](C[5a]N[5a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|O<2>,2|C<4>,2|N<2>,3|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	111.1750	1.547	2	111.1750	2.394	2	111.1750	2.394	2	111.1750	2.394	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	110.3826	0.605	5	110.3826	0.367	5	110.3826	0.367	5	110.3826	0.367	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:3:2:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:3:4:4:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:C-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]CH)(CF3)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]CH)(CF3){1|C<3>,1|C<4>,1|H<1>}	117.1270	0.000	1	117.1270	0.000	1	117.1270	0.000	1	117.1270	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[5a]C[6]H)2(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6]H)2(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	112.9533	1.316	35	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	112.5540	0.000	1	112.4525	0.516	4	112.9772	1.386	33	112.9533	1.316	35	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.4187	0.876	3	112.4525	0.516	4	112.9772	1.386	33	112.9533	1.316	35	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	114.4715	1.020	2	113.5823	1.434	4	112.9772	1.386	33	112.9533	1.316	35	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.6930	0.311	2	113.5823	1.434	4	112.9772	1.386	33	112.9533	1.316	35	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	112.4010	1.484	3	112.6223	0.859	19	112.9772	1.386	33	112.9533	1.316	35	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.4385	0.870	11	112.6223	0.859	19	112.9772	1.386	33	112.9533	1.316	35	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	112.8670	0.000	1	112.6223	0.859	19	112.9772	1.386	33	112.9533	1.316	35	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	113.7740	0.000	1	112.6223	0.859	19	112.9772	1.386	33	112.9533	1.316	35	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){3|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.0523	0.714	3	112.6223	0.859	19	112.9772	1.386	33	112.9533	1.316	35	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	113.3735	0.334	2	113.0333	0.403	3	112.9772	1.386	33	112.9533	1.316	35	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	112.3530	0.000	1	113.0333	0.403	3	112.9772	1.386	33	112.9533	1.316	35	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){1|S<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	116.7040	0.000	1	116.7040	0.000	1	112.9772	1.386	33	112.9533	1.316	35	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){1|S<4>,2|H<1>,2|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	114.2395	0.431	2	114.2395	0.185	2	112.9772	1.386	33	112.9533	1.316	35	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:P[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(P[6]O[6]HO)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|P<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(P[6]O[6]HO)(N[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	112.7750	0.000	1	112.7750	0.000	1	112.7750	0.000	1	112.9533	1.316	35	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(C){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	116.6095	0.054	2	116.6095	0.003	2	116.6095	0.003	2	111.6308	5.807	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5]-3:N[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5]N[6]H)(C[6]C[6]HH)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]CuC)(N[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5]N[6]H)(C[6]C[6]HH)(H){1|Cu<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]CuC)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<4>,3|H<1>}	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1	111.6308	5.807	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	109.5820	0.000	1	109.5820	0.000	1	109.5820	0.000	1	111.6308	5.807	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-3:N[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]NiC)(N[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|Ni<6>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]NiC)(N[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<4>,3|H<1>}	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	111.6308	5.807	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	110.2940	0.000	1	110.2940	0.000	1	111.1029	0.973	8	111.6308	5.807	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	110.9620	0.000	1	110.9620	0.000	1	111.1029	0.973	8	111.6308	5.807	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	111.1730	0.000	1	111.1730	0.000	1	111.1029	0.973	8	111.6308	5.807	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	110.0590	0.000	1	110.0590	0.000	1	111.1029	0.973	8	111.6308	5.807	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]O[6]C)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	111.1365	0.556	2	111.1365	0.310	2	111.1029	0.973	8	111.6308	5.807	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	110.8050	0.000	1	110.8050	0.000	1	111.1029	0.973	8	111.6308	5.807	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	113.2570	0.000	1	113.2570	0.000	1	111.1029	0.973	8	111.6308	5.807	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(H){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	113.1465	0.726	2	113.1465	0.527	2	113.1465	0.527	2	112.4873	0.815	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.1280	0.000	1	111.8280	0.180	2	111.8280	0.180	2	112.4873	0.815	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	111.5280	0.000	1	111.8280	0.180	2	111.8280	0.180	2	112.4873	0.815	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	113.8370	0.000	1	113.8370	0.000	1	113.8370	0.000	1	113.8370	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:4:4:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	116.1650	0.502	2	116.1650	0.252	2	116.1650	0.252	2	116.1650	0.252	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:4:	3:4:3:4:	C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:C-4:	N[6](C[6]C[6a]C[6]C)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3)	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3)	N[6](C[6]C[6a]C[6]C)2(H){1|C<4>,4|C<3>,4|F<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	128.0000	0.000	1	128.0000	0.000	1	128.0000	0.000	1	128.0000	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	3:4:3:4:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(CH3){2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<3>,2|C<4>}	112.9695	0.117	2	112.9695	0.014	2	112.9695	0.014	2	112.9695	0.014	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:3:4:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3)	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3){1|C<4>,2|C<3>,5|H<1>}	112.8438	0.339	10	112.8438	0.115	10	112.8438	0.115	10	112.8438	0.115	10	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6]H)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H){2|C<4>,2|H<1>}	112.8670	0.000	1	112.8670	0.000	1	112.8670	0.000	1	111.3390	1.945	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6]2O[6])(N[6]C[6]H)(H)2	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(N[6]C[6]H)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|H<1>}	111.0150	0.000	1	111.0150	0.000	1	111.0150	0.000	1	111.3390	1.945	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	110.1350	0.000	1	110.1350	0.000	1	110.1350	0.000	1	111.3390	1.945	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:4:3:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:C-3:	N[6](C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)2(CH3)(CCN)	N[6](C[6]C[6]HH)(C[6]N[6]CC)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]H)2(CH3)(CCN){1|C<4>,4|H<1>}	113.0330	0.689	2	113.0330	0.474	2	113.0330	0.474	2	113.0330	0.474	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6]HH)2(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	111.2850	0.000	1	111.2850	0.000	1	112.3665	2.339	2	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6]HH)2(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6]H)(H)2{3|C<4>,4|H<1>}	113.4480	0.000	1	113.4480	0.000	1	112.3665	2.339	2	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.1370	0.000	1	111.1834	0.370	27	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.7050	0.000	1	111.1834	0.370	27	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	111.2050	0.000	1	111.1834	0.370	27	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<2>,3|H<1>}	111.3610	0.305	2	111.1834	0.370	27	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	111.5122	0.883	8	111.1834	0.370	27	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	110.7322	0.122	4	111.1834	0.370	27	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	111.0157	0.310	10	111.1834	0.370	27	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	112.1510	0.000	1	111.9025	0.124	2	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	111.6540	0.000	1	111.9025	0.124	2	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|N<2>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	110.0870	0.000	1	110.5542	0.898	78	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.1123	0.810	19	110.5542	0.898	78	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	110.7468	1.041	36	110.5542	0.898	78	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,2|H<1>}	108.9410	0.000	1	110.5542	0.898	78	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	110.8357	0.718	18	110.5542	0.898	78	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Cd<5>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Cd<5>,1|C<4>,3|H<1>}	110.6460	0.000	1	110.5542	0.898	78	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Co<6>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Co<6>,2|C<4>,2|H<1>}	109.6290	0.000	1	110.5542	0.898	78	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Zn<5>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Zn<5>,1|C<4>,3|H<1>}	109.8610	0.000	1	110.5542	0.898	78	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]N[6a]O[6]H)(N[6]C[6]H)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[6a]O[6]H)(N[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	110.5770	0.000	1	110.5770	0.000	1	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	110.2776	1.611	14	110.2776	2.595	14	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	113.0850	0.000	1	113.0850	0.000	1	110.7035	1.080	123	110.7301	1.125	125	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]FH)(N[6]C[6]H)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]H)(CNO)(H){1|C<4>,4|H<1>}	110.1980	0.000	1	110.1980	0.000	1	111.0515	1.457	2	111.0515	1.457	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H){1|C<4>,4|H<1>}	111.9050	0.000	1	111.9050	0.000	1	111.0515	1.457	2	111.0515	1.457	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	115.5780	0.000	1	115.5780	0.000	1	115.5780	0.000	1	115.5780	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5,5]-4:N[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5]O[6]H)(C[6]C[6]HH)(H)	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[5,5]O[6]H)(C[6]C[6]HH)(H){1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	110.6250	0.000	1	110.6250	0.000	1	110.6250	0.000	1	110.6250	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:2:1:	4:3:2:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-2:H-1:	N[6](C[6]C[6]HO)2(H)	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H)	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H)	N[6](C[6]C[6]HO)2(H){1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H){1|C<4>,1|O<2>,2|H<1>}	119.3180	0.000	1	119.3180	0.000	1	119.3180	0.000	1	119.3180	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[5]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	N[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	109.6670	0.000	1	109.6670	0.000	1	109.6670	0.000	1	110.4675	1.282	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(CNO)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(CNO)(H){2|H<1>,4|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	111.2680	0.000	1	111.2680	0.000	1	111.2680	0.000	1	110.4675	1.282	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	3:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H)	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	113.8930	0.000	1	113.8930	0.000	1	113.8930	0.000	1	113.8840	0.000	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	3:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	113.8750	0.000	1	113.8750	0.000	1	113.8750	0.000	1	113.8840	0.000	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.2583	0.777	3	113.2583	0.604	3	112.9788	0.761	5	112.7870	0.830	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H){3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.5595	1.118	2	112.5595	1.250	2	112.9788	0.761	5	112.7870	0.830	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	P[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H)	C[6](P[6]C[6a]O[6]O)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](P[6]C[6a]O[6]O)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|P<4>,3|C<3>,3|H<1>}	111.8280	0.000	1	111.8280	0.000	1	111.8280	0.000	1	112.7870	0.830	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5a]-3:N[6]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]C[5a]H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5a]C[5a]O[5a])(N[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	N[6](C[6]C[5,6]C[5a]H)(C[6]C[5,6]HH)(H){1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5a]C[5a]O[5a])(N[6]C[6]H)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	115.7980	0.000	1	115.7980	0.000	1	115.7980	0.000	1	112.0290	8.980	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<3>,3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	111.9710	0.366	2	111.9710	0.134	2	111.9710	0.134	2	112.0290	8.980	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	107.4730	0.000	1	107.4730	0.000	1	107.4730	0.000	1	112.0290	8.980	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-3:N[6]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[5,6]C[6]H)(C[6]C[5,6]HH)(H)	C[6](N[5,6]C[5,6]C[5]Cu)(C[6]C[6]N[6])(N[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	N[6](C[6]N[5,6]C[6]H)(C[6]C[5,6]HH)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5]Cu)(C[6]C[6]N[6])(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	112.9320	0.000	1	112.9320	0.000	1	112.9320	0.000	1	112.0290	8.980	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6a]-3:N[6]-3:H-1:	C[3x6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[3x6]C[6a]H)2(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[3x6]C[6a]H)2(H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	113.6700	0.000	1	113.6700	0.000	1	113.6700	0.000	1	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){4|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	114.2630	0.281	2	114.2630	0.079	2	113.1943	2.522	32	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){1|H<1>,3|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	112.2790	0.000	1	112.9993	0.393	3	113.1943	2.522	32	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){1|H<1>,3|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	113.4250	0.000	1	112.9993	0.393	3	113.1943	2.522	32	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){1|H<1>,3|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	113.2940	0.000	1	112.9993	0.393	3	113.1943	2.522	32	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	114.2060	0.455	2	113.1368	2.878	27	113.1943	2.522	32	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>,4|H<1>}	114.2545	1.018	2	113.1368	2.878	27	113.1943	2.522	32	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	109.5985	0.153	2	113.1368	2.878	27	113.1943	2.522	32	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	113.0110	1.917	4	113.1368	2.878	27	113.1943	2.522	32	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	113.4910	0.000	1	113.1368	2.878	27	113.1943	2.522	32	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	112.9430	0.000	1	113.1368	2.878	27	113.1943	2.522	32	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	115.6000	0.000	1	113.1368	2.878	27	113.1943	2.522	32	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	114.6410	1.325	2	113.1368	2.878	27	113.1943	2.522	32	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	112.8785	1.386	11	113.1368	2.878	27	113.1943	2.522	32	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,5|H<1>}	113.5530	0.000	1	113.1368	2.878	27	113.1943	2.522	32	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6]CH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	110.1650	0.000	1	110.1650	0.000	1	111.1900	1.645	3	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)2(H)	C[6](C[6]S[6]HH)(N[6]C[6]H)(COO)(H)	C[6](C[6]S[6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6]CH)2(H){1|S<3>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]S[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.7025	1.309	2	111.7025	1.713	2	111.1900	1.645	3	113.0405	2.654	36	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	3:2:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O[6]-2:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]O[6]CH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)(H)	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]O[6]CH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H){2|H<1>,3|C<4>}	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5,5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6]C[6]H)(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,3|C<4>}	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	112.0701	0.575	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]FF)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]FF)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	113.0565	0.111	2	113.0565	0.012	2	112.1548	0.503	14	112.0701	0.575	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	111.0000	0.000	1	111.0000	0.000	1	112.1548	0.503	14	112.0701	0.575	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	112.0500	0.000	1	112.0500	0.000	1	112.1548	0.503	14	112.0701	0.575	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[5]CO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[5]CO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	113.1460	0.000	1	113.1460	0.000	1	112.1548	0.503	14	112.0701	0.575	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	111.6510	0.000	1	111.6510	0.000	1	112.1548	0.503	14	112.0701	0.575	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	111.7360	0.110	2	111.7360	0.012	2	112.1548	0.503	14	112.0701	0.575	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	111.7390	0.000	1	111.7390	0.000	1	112.1548	0.503	14	112.0701	0.575	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	112.7950	0.000	1	112.7950	0.000	1	112.1548	0.503	14	112.0701	0.575	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	111.1670	0.000	1	111.1670	0.000	1	112.1548	0.503	14	112.0701	0.575	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(CC[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,3|C<4>}	112.1870	0.000	1	112.1870	0.000	1	112.1548	0.503	14	112.0701	0.575	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,2|H<1>}	112.0680	0.000	1	112.4235	0.253	2	112.1548	0.503	14	112.0701	0.575	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	112.7790	0.000	1	112.4235	0.253	2	112.1548	0.503	14	112.0701	0.575	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CNO)(H)	N[6](C[6]C[6]CH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CNO)(H){1|O<2>,2|C<4>,2|H<1>}	113.0990	0.000	1	113.0990	0.000	1	113.0990	0.000	1	113.0990	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)2(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CH3)(H){2|H<1>,3|C<4>}	112.0170	0.000	1	112.0170	0.000	1	112.8158	3.157	12	112.8158	3.157	12	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	114.0130	0.000	1	114.0130	0.000	1	112.8158	3.157	12	112.8158	3.157	12	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	115.4410	0.000	1	115.4410	0.000	1	112.8158	3.157	12	112.8158	3.157	12	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6]CH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H){2|C<4>,3|H<1>}	112.0570	0.000	1	112.0570	0.000	1	112.8158	3.157	12	112.8158	3.157	12	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6]CH)2(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	114.3480	0.000	1	114.3480	0.000	1	112.8158	3.157	12	112.8158	3.157	12	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)2(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	115.9450	0.000	1	115.9450	0.000	1	112.8158	3.157	12	112.8158	3.157	12	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)2(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	111.6615	1.005	6	111.6615	1.010	6	112.8158	3.157	12	112.8158	3.157	12	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:4:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CH3)2	N[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CH3)2{1|C<3>,2|C<4>,5|H<1>}	114.9670	0.000	1	114.9670	0.000	1	114.9670	0.000	1	114.9670	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:3:	3:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)(CNO)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,2|C<4>}	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	3:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CHHN)2	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(CHHN)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{4|C<4>}	110.8550	0.000	1	110.8550	0.000	1	110.8550	0.000	1	110.8550	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-4:	P[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CC)(C[6]P[6]CH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)2	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CC)(C[6]P[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|P<4>}	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)(H){2|C<3>,3|C<4>}	116.2727	0.409	3	116.2727	0.167	3	116.2727	0.167	3	116.2727	0.167	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH){2|H<1>,3|C<4>}	123.6500	0.000	1	123.6500	0.000	1	123.6500	0.000	1	123.6500	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)2	N[6](C[6]C[6]CC)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)2{2|S<4>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)2{2|S<4>,3|C<4>}	117.8690	0.000	1	117.8690	0.000	1	119.5425	1.367	8	123.0037	4.405	34	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(H)	C[6](C[6]C[6]BrH)(N[6]C[6]H)(CH3)2	C[6](C[6]C[6]BrH)(N[6]C[6]H)(CH3)2	N[6](C[6]C[6]CC)2(H){2|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(N[6]C[6]H)(CH3)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]BrH)(N[6]C[6]H)(CH3)2{1|O<1>,3|C<4>}	121.8460	0.000	1	121.8460	0.000	1	119.5425	1.367	8	123.0037	4.405	34	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	N[6](C[6]C[6]CC)2(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|O<1>,3|C<4>}	119.1380	0.478	2	119.4375	0.279	6	119.5425	1.367	8	123.0037	4.405	34	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	N[6](C[6]C[6]CC)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	119.6235	0.903	2	119.4375	0.279	6	119.5425	1.367	8	123.0037	4.405	34	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	N[6](C[6]C[6]CC)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	119.3570	0.000	1	119.4375	0.279	6	119.5425	1.367	8	123.0037	4.405	34	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	N[6](C[6]C[6]CC)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{2|H<1>,3|C<4>}	119.7450	0.000	1	119.4375	0.279	6	119.5425	1.367	8	123.0037	4.405	34	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<2>,3|C<4>}	123.6950	0.000	1	123.6950	0.000	1	124.0687	0.419	26	123.0037	4.405	34	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]BrH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]BrH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){2|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]BrH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	125.3450	0.000	1	125.3450	0.000	1	124.0687	0.419	26	123.0037	4.405	34	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<2>,3|C<4>}	123.8134	0.529	8	124.0310	0.377	24	124.0687	0.419	26	123.0037	4.405	34	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	124.1513	0.333	3	124.0310	0.377	24	124.0687	0.419	26	123.0037	4.405	34	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	124.1242	0.732	12	124.0310	0.377	24	124.0687	0.419	26	123.0037	4.405	34	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	124.2940	0.000	1	124.0310	0.377	24	124.0687	0.419	26	123.0037	4.405	34	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	113.5210	0.000	1	113.5210	0.000	1	113.5210	0.000	1	113.5210	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]CH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]2H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	114.0240	0.000	1	114.0240	0.000	1	114.0240	0.000	1	114.0240	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-2:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	112.5860	0.000	1	112.5860	0.000	1	112.5860	0.000	1	112.5860	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:O-2:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	C[6](C[5a]C[5a]2)(C[6]O[6]O)(N[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a]2)(C[6]O[6]O)(N[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H){3|H<1>,4|C<3>}	108.7030	0.000	1	108.7030	0.000	1	108.8023	0.673	3	108.8023	0.673	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:O-2:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	C[6](C[5a]C[5a]N[5a])(C[6]O[6]O)(N[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]O[6]O)(N[6]C[6]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H){3|H<1>,4|C<3>}	108.8520	1.154	2	108.8520	1.332	2	108.8023	0.673	3	108.8023	0.673	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-2:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2{1|H<1>,3|C<3>}	109.7080	0.000	1	109.7080	0.000	1	109.7080	0.000	1	109.7080	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:3:3:4:	4:3:1:1:	C[6]-4:C[6]-4:O-2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2{1|C<4>,3|C<3>}	112.9325	0.803	2	112.9325	0.644	2	113.4720	1.195	3	113.4720	1.195	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:3:3:4:	4:3:1:1:	C[6]-4:C[6]-4:O-2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2{1|C<4>,3|C<3>}	114.5510	0.000	1	114.5510	0.000	1	113.4720	1.195	3	113.4720	1.195	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:3:3:4:	4:3:2:1:	C[6]-4:C[6]-4:O-2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:C-2:H-1:	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H){1|C<4>,3|C<3>}	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:3:3:4:	4:3:4:1:	C[6]-4:C[6]-4:O-2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H){1|C<4>,3|C<3>}	109.4280	0.000	1	109.4280	0.000	1	109.4280	0.000	1	109.4280	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(OH)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6]H)2(OH){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	115.7460	0.650	3	115.7460	0.423	3	114.4480	1.297	12	113.1171	4.024	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.9760	0.000	1	112.9760	0.000	1	114.4480	1.297	12	113.1171	4.024	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	114.1453	0.884	8	114.1453	0.781	8	114.4480	1.297	12	113.1171	4.024	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NC)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,2|H<1>}	113.0625	1.008	4	112.8446	1.000	5	112.1226	3.206	10	113.1171	4.024	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NC)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	111.9730	0.000	1	112.8446	1.000	5	112.1226	3.206	10	113.1171	4.024	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NC)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	111.4006	2.216	5	111.4006	4.910	5	112.1226	3.206	10	113.1171	4.024	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(H)2	N[6](C[6]C[6]HH)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(H)2{1|C<4>,4|H<1>}	110.1040	0.354	2	110.1040	0.125	2	110.1040	0.125	2	113.1171	4.024	24	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(OC){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H)2{2|C<4>,2|H<1>}	109.7925	0.343	2	109.7925	0.118	2	109.7925	0.118	2	109.7925	0.118	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OAl)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OAl){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	118.7205	3.491	6	118.7205	12.185	6	118.2679	2.700	73	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OB[6a])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OB[6a]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	115.7260	0.349	2	115.7260	0.122	2	118.2679	2.700	73	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OBe)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OBe){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	117.9517	0.283	3	117.9517	0.080	3	118.2679	2.700	73	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	118.1800	0.915	32	118.1800	0.837	32	118.2679	2.700	73	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OC[5,6])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OC[5,6]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	117.1510	0.054	2	117.1510	0.003	2	118.2679	2.700	73	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OC[5])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OC[5]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	118.6030	0.611	4	118.6030	0.373	4	118.2679	2.700	73	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OC[6])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OC[6]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	117.3930	0.000	1	117.3930	0.000	1	118.2679	2.700	73	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OGe[5])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OGe[5]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	115.7685	0.547	2	115.7685	0.299	2	118.2679	2.700	73	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OH)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	119.0570	0.766	10	119.0570	0.587	10	118.2679	2.700	73	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(ONi)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(ONi){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	117.6760	0.000	1	117.6760	0.000	1	118.2679	2.700	73	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OP)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OP){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	116.7090	0.096	2	116.7090	0.009	2	118.2679	2.700	73	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OS)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OS){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	119.6000	0.000	1	119.6000	0.000	1	118.2679	2.700	73	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OSn)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OSn){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	117.6117	0.976	3	117.6117	0.952	3	118.2679	2.700	73	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OTi)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OTi){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	119.0370	0.969	3	119.0370	0.939	3	118.2679	2.700	73	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(OZn)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	N[6](C[6]C[6]CC)2(OZn){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	125.3110	0.000	1	125.3110	0.000	1	118.2679	2.700	73	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:P-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(PC[5])	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	N[6](C[6]C[6]CC)2(PC[5]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	115.8930	0.000	1	115.8930	0.000	1	118.3074	3.097	5	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:P-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(PN)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	N[6](C[6]C[6]CC)2(PN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	117.4380	0.000	1	117.4380	0.000	1	118.3074	3.097	5	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:P-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(PP)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	N[6](C[6]C[6]CC)2(PP){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	119.4020	1.050	3	119.4020	1.103	3	118.3074	3.097	5	118.2704	2.686	78	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:2:1:1:	3:3:1:1:	C[6]-4:C[6]-4:N-3:	N[6]-3:N[6]-2:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]N)(N[6]C[6])(H)2	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|N<2>}	C[6](N[6]C[6]N)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]N)2(H)2{1|C<4>,1|N<2>,2|H<1>}	111.1840	0.000	1	112.5550	1.645	3	112.5550	1.645	3	112.5550	1.645	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:2:1:1:	3:3:1:1:	C[6]-4:C[6]-4:N-3:	N[6]-3:N[6]-2:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]N)(N[6]C[6])(H)2	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|N<3>}	C[6](N[6]C[6]N)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]N)2(H)2{1|C<4>,1|N<2>,2|H<1>}	113.2405	0.687	2	112.5550	1.645	3	112.5550	1.645	3	112.5550	1.645	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	2:3:1:1:	C[6]-4:C[6]-4:N-3:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6]-2:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(NOO)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2	C[6](N[6]C[6,6])(N[6]C[6]N)(H)2	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(NOO){1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6]C[6,6])(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	110.5520	0.000	1	110.5520	0.000	1	110.5520	0.000	1	110.5520	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:2:1:1:	C[6]-4:C[6]-4:N-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:H-1:H-1:	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2	C[6](N[6]C[6]N)(N[6]C[6])(H)2	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6]N)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	111.9467	0.554	3	111.9467	0.307	3	111.9467	0.307	3	111.9467	0.307	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C[6a]-3:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{2|C<3>,2|N<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{2|C<3>,2|N<3>,6|H<1>}	110.0530	0.000	1	110.0530	0.000	1	110.0530	0.000	1	114.4656	1.674	46	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:N-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]N)2(H)2{1|N<3>,4|H<1>}	113.3300	0.000	1	113.3300	0.000	1	114.5636	1.260	45	114.4656	1.674	46	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:N-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2	N[6](C[6]N[6]HH)2(NOO){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|H<1>}	112.2520	0.000	1	112.2520	0.000	1	114.5636	1.260	45	114.4656	1.674	46	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:N-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]N)2(H)2	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)2(NOO){1|C<4>,2|N<3>}	C[6](N[6]C[6]N)2(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]N)2(H)2{1|N<3>,4|H<1>}	114.6461	1.072	43	114.6461	1.149	43	114.5636	1.260	45	114.4656	1.674	46	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	113.4190	0.000	1	113.4190	0.000	1	113.4190	0.000	1	114.4715	2.216	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)(C[6]C[6]HH)(NOO)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2	C[6](C[6]C[6,6]NN)(N[6]C[6]N)(H)2	N[6](C[6]N[6,6]HH)(C[6]C[6]HH)(NOO){1|C<3>,1|C<4>,2|N<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]NN)(N[6]C[6]N)(H)2{1|N<2>,1|N<3>,2|H<1>}	115.5240	0.000	1	115.5240	0.000	1	115.5240	0.000	1	114.4715	2.216	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:N-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(COO)(H){2|C<3>,2|H<1>}	112.6260	0.000	1	112.6260	0.000	1	112.6260	0.000	1	112.6260	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:2:1:	3:3:1:1:	C[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,2|H<1>,5|C<3>}	111.6520	0.000	1	111.6520	0.000	1	111.6520	0.000	1	111.6520	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NCC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,1|O<2>,2|C<3>}	117.0650	0.000	1	117.0650	0.000	1	117.0650	0.000	1	117.0650	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:2:3:1:	C[6]-4:C[6]-4:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:O[6]-2:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<2>,4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]N)(H){3|H<1>,5|C<3>}	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	112.9210	0.000	1	112.9210	0.000	1	112.9210	0.000	1	112.9567	14.584	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NCH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H){2|C<3>,2|C<4>,2|N<2>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,3|C<3>}	109.7430	0.000	1	109.7430	0.000	1	109.8890	0.043	2	112.9567	14.584	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NHS)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NHS){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,3|C<3>}	110.0350	0.000	1	110.0350	0.000	1	109.8890	0.043	2	112.9567	14.584	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(NHS)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]N)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(NHS){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]N)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,1|N<3>,2|C<3>}	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	112.9567	14.584	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,1|N<3>,2|C<3>}	110.9420	0.000	1	110.9420	0.000	1	115.4315	40.311	2	112.9567	14.584	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,1|N<3>,2|C<3>}	119.9210	0.000	1	119.9210	0.000	1	115.4315	40.311	2	112.9567	14.584	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NCH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	117.6500	0.000	1	117.6500	0.000	1	117.6500	0.000	1	115.9310	5.910	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	114.2120	0.000	1	114.2120	0.000	1	114.2120	0.000	1	115.9310	5.910	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|C<3>}	118.0875	0.644	2	118.0875	0.415	2	118.0875	0.415	2	118.0875	0.415	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[4]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(C[4]C[4]2)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[4]C[4]2){2|C<4>,2|N<3>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	114.6410	0.000	1	114.6410	0.000	1	114.6410	0.000	1	112.1041	2.696	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	113.7190	0.000	1	113.7190	0.000	1	112.0897	1.434	4	112.1041	2.696	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(C[5]N[5]2)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]N[5]2){1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	112.2560	0.000	1	112.2560	0.000	1	112.0897	1.434	4	112.1041	2.696	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(C[5]N[5]2)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]N[5]2){1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	111.1920	0.085	2	111.1920	0.007	2	112.0897	1.434	4	112.1041	2.696	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:N[4]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(N[4]C[4]2)	C[6](N[6]C[6]N[4])(C[6]O[6]HH)(H)2	C[6](N[6]C[6]N[4])(C[6]O[6]HH)(H)2	N[6](C[6]C[6]HH)2(N[4]C[4]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](N[6]C[6]N[4])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]N[4])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	112.1041	2.696	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:N[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(N[5]C[5]2)	C[6](N[6]C[6]N[5])(C[6]N[6]HH)(H)2	C[6](N[6]C[6]N[5])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(N[5]C[5]2){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](N[6]C[6]N[5])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]N[5])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	111.9520	0.000	1	111.9520	0.000	1	111.9520	0.000	1	112.1041	2.696	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCC)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCC){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	112.1620	0.000	1	112.1620	0.000	1	116.3593	13.516	3	116.3593	13.516	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.0080	0.000	1	119.0080	0.000	1	116.3593	13.516	3	116.3593	13.516	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	117.9080	0.000	1	117.9080	0.000	1	116.3593	13.516	3	116.3593	13.516	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	117.1340	0.000	1	117.1340	0.000	1	117.1340	0.000	1	117.1340	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	119.8410	0.000	1	119.8410	0.000	1	119.8410	0.000	1	119.8410	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:4:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	117.5100	0.000	1	117.5100	0.000	1	117.5100	0.000	1	117.5100	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	112.1030	0.000	1	112.1030	0.000	1	112.1030	0.000	1	114.6043	4.806	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(NOO)	C[6](C[6]C[6]NN)(N[6]C[6]N)(H)2	C[6](N[6]C[6]N)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(NOO){1|C<4>,1|N<2>,2|N<3>}	C[6](C[6]C[6]NN)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]N)2(H)2{1|C<4>,4|H<1>}	115.8550	0.477	2	115.8550	0.227	2	115.8550	0.227	2	114.6043	4.806	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]H)(N[6]C[6]N)(CC3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(CC3)(H){1|C<4>,3|H<1>}	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2{3|C<4>,3|H<1>}	114.8360	0.000	1	114.8360	0.000	1	114.8360	0.000	1	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	113.4990	0.000	1	113.4990	0.000	1	113.6135	0.026	2	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6]C)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.7280	0.000	1	113.7280	0.000	1	113.6135	0.026	2	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCC)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCC){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.0470	0.639	2	110.0470	0.409	2	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	111.5695	1.201	2	111.7580	0.749	4	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	111.9465	0.814	2	111.7580	0.749	4	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	112.5520	0.000	1	112.5520	0.000	1	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.3110	0.000	1	112.3110	0.000	1	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]N){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	111.6522	0.594	23	111.5944	0.367	25	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]N){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	110.9300	0.296	2	111.5944	0.367	25	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.6510	0.000	1	112.4505	6.476	2	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	114.2500	0.000	1	112.4505	6.476	2	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.6650	0.000	1	111.4658	0.348	10	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	111.8933	0.677	3	111.4658	0.348	10	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	111.4145	0.504	4	111.4658	0.348	10	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|N<2>,2|C<4>,2|H<1>}	110.6800	0.000	1	111.4658	0.348	10	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	110.9750	0.000	1	111.4658	0.348	10	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]N)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	111.5650	0.526	2	111.5650	0.277	2	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	113.5240	0.000	1	113.5240	0.000	1	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.3630	2.574	3	113.3630	6.627	3	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNN){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.8770	1.546	2	109.8923	1.195	3	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNN){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	109.9230	0.000	1	109.8923	1.195	3	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.1410	0.529	3	112.1410	0.280	3	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.4910	0.000	1	111.8085	0.202	2	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	112.1260	0.000	1	111.8085	0.202	2	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	114.0850	0.000	1	114.0850	0.000	1	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.2650	0.000	1	112.2650	0.000	1	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	111.7070	1.175	2	111.7070	1.381	2	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]N)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]N){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.3490	0.000	1	112.3490	0.000	1	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[6]N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]N){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.7580	0.865	3	112.7580	0.747	3	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.3565	0.077	2	112.3565	0.006	2	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	116.0740	0.000	1	116.0740	0.000	1	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	113.3215	0.583	2	113.3215	0.340	2	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	115.6690	0.000	1	115.6690	0.000	1	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	113.9570	0.000	1	113.9570	0.000	1	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CTiC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CTiC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.0970	0.454	2	112.0970	0.206	2	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CZrC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CZrC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	112.0042	0.840	4	111.8402	0.663	5	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CZrC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CZrC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	111.1840	0.000	1	111.8402	0.663	5	111.9593	1.566	81	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	110.9240	0.000	1	110.9240	0.000	1	110.6930	0.898	3	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	109.6510	0.000	1	109.6510	0.000	1	110.6930	0.898	3	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,2|N<2>}	111.5040	0.000	1	111.5040	0.000	1	110.6930	0.898	3	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6a]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[5,6]HH)2(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,4|C<3>,4|H<1>}	119.4510	0.000	1	119.4510	0.000	1	119.4510	0.000	1	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NCH)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	111.4875	1.488	2	111.4875	2.216	2	111.6826	5.660	14	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NCH)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NCH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	109.2130	0.000	1	109.2130	0.000	1	111.6826	5.660	14	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NC[6,6]Ga)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC[6,6]Ga){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	112.7400	0.000	1	112.7400	0.000	1	111.6826	5.660	14	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NCuC)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NCuC){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	113.5910	0.000	1	113.5910	0.000	1	111.6826	5.660	14	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NHH)	C[6](C[6]N[6]CH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NHH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	109.4680	0.000	1	109.4680	0.000	1	111.6826	5.660	14	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NHP)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NHP){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	111.1950	0.000	1	111.1950	0.000	1	111.6826	5.660	14	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NHS)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NHS){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,2|H<1>}	108.8350	0.000	1	108.8350	0.000	1	111.6826	5.660	14	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NHS)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NHS){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	110.1390	0.000	1	110.1390	0.000	1	111.6826	5.660	14	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NNO)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NNO){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	111.1280	0.000	1	111.1280	0.000	1	111.6826	5.660	14	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NPtC)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NPtC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	115.1543	0.186	3	115.1543	0.035	3	111.6826	5.660	14	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NRuH)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NRuH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	108.8090	0.000	1	108.8090	0.000	1	111.6826	5.660	14	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PC[6a]N)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]N){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	112.8600	0.000	1	112.8600	0.000	1	112.3595	0.501	2	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(POO)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(POO){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	111.8590	0.000	1	111.8590	0.000	1	112.3595	0.501	2	112.0248	2.688	104	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	118.0720	0.000	1	118.0720	0.000	1	115.5753	6.293	3	115.5753	6.293	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	114.3270	1.799	2	114.3270	3.236	2	115.5753	6.293	3	115.5753	6.293	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:C-2:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){1|C<4>,4|H<1>}	116.4520	1.629	2	116.4520	2.654	2	116.4520	2.654	2	116.4520	2.654	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	3:2:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:N[6]-2:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.3520	0.000	1	118.3520	0.000	1	118.3520	0.000	1	118.3520	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(CNO)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(CNO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	117.3080	0.000	1	117.3080	0.000	1	117.3080	0.000	1	117.3080	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	111.4110	0.000	1	111.4110	0.000	1	111.4110	0.000	1	111.4110	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CCC)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CCC){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	110.5015	0.188	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCC)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCC){2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	110.8080	0.000	1	110.8080	0.000	1	110.8080	0.000	1	110.5015	0.188	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NHH)	C[6](C[6]N[6]HH)(N[6]C[6]N)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(CH3)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|H<1>,1|N<3>,2|C<4>}	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:C-2:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	111.7920	0.000	1	111.7920	0.000	1	116.1328	8.530	4	116.1328	8.530	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(CNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	117.5797	0.483	3	117.5797	0.234	3	116.1328	8.530	4	116.1328	8.530	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:B-3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(BBrN)	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	N[6](C[6]C[6]CC)2(BBrN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	119.8580	0.000	1	119.8580	0.000	1	119.8580	0.000	1	118.0397	1.796	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:P-3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(PC[5]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	N[6](C[6]C[6]CC)2(PC[5]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	118.1750	0.000	1	118.1750	0.000	1	117.4337	0.490	3	118.0397	1.796	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:P-3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(PClN)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	N[6](C[6]C[6]CC)2(PClN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	117.3420	0.000	1	117.3420	0.000	1	117.4337	0.490	3	118.0397	1.796	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:P-3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(PNP)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	N[6](C[6]C[6]CC)2(PNP){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	116.7840	0.000	1	116.7840	0.000	1	117.4337	0.490	3	118.0397	1.796	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:2:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:S[6]-2:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH)	C[6](N[6]C[6]C)(S[6]C[6])(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH){1|C<3>,1|C<4>}	C[6](N[6]C[6]C)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]C[6]C)2(H)2{1|S<1>,1|S<2>,2|H<1>}	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	2:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	109.8890	0.792	2	109.8890	0.627	2	108.5110	0.505	25	108.5110	0.505	25	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	2:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	108.1719	0.632	14	108.1719	0.400	14	108.5110	0.505	25	108.5110	0.505	25	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	2:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	108.8635	0.332	2	108.8635	0.110	2	108.5110	0.505	25	108.5110	0.505	25	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	2:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	108.8590	0.000	1	108.8590	0.000	1	108.5110	0.505	25	108.5110	0.505	25	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	2:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	108.8155	0.316	2	108.8155	0.100	2	108.5110	0.505	25	108.5110	0.505	25	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	2:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	108.4760	0.033	2	108.4760	0.001	2	108.5110	0.505	25	108.5110	0.505	25	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	2:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	108.7110	0.192	2	108.7110	0.037	2	108.5110	0.505	25	108.5110	0.505	25	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:2:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:S[6]-2:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(S[6]C[6])(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH){2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6]C)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[3]-4:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[3]C[3]2H)(C[6]N[6]HH)2	C[6](N[6]C[3]C[6])2(H)2	C[6](N[6]C[3]C[6])2(H)2	N[6](C[3]C[3]2H)(C[6]N[6]HH)2{3|C<4>,4|H<1>}	C[6](N[6]C[3]C[6])2(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6](N[6]C[3]C[6])2(H)2{1|N<3>,4|C<4>,6|H<1>}	109.3423	0.319	3	109.3423	0.102	3	109.3423	0.102	3	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	109.8200	0.000	1	109.8200	0.000	1	110.1713	0.093	3	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	110.3470	0.000	2	110.3470	0.000	2	110.1713	0.093	3	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|H<1>,2|N<2>,2|N<3>}	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	110.6730	0.000	1	110.6730	0.000	1	109.6313	1.277	28	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	109.6505	1.340	6	109.6505	1.795	6	109.6313	1.277	28	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	109.8040	0.000	1	110.5355	1.070	2	109.6313	1.277	28	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	111.2670	0.000	1	110.5355	1.070	2	109.6313	1.277	28	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]H)(N[6]C[6]C)(H)2	C[6](C[6]O[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,2|H<1>}	C[6](C[6]O[6]H)(N[6]C[6]C)(H)2{1|C<3>,2|H<1>}	C[6](C[6]O[6]H)(N[6]C[6]C)(H)2{1|C<3>,2|H<1>}	109.4600	0.000	1	109.4600	0.000	1	109.6313	1.277	28	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	107.9853	1.032	3	107.9853	1.066	3	109.6313	1.277	28	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	109.4610	1.228	4	109.4610	1.509	4	109.6313	1.277	28	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	109.8882	0.778	11	109.8882	0.606	11	109.6313	1.277	28	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](N[6]C[6]C)2(H)2{1|C<3>,1|N<3>,2|H<1>}	107.8750	0.000	1	107.8750	0.000	1	108.1060	0.107	2	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](N[6]C[6]C)2(H)2{1|C<3>,1|N<3>,2|H<1>}	108.3370	0.000	1	108.3370	0.000	1	108.1060	0.107	2	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	108.5040	0.000	1	108.5040	0.000	1	109.3845	1.551	2	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	110.2650	0.000	1	110.2650	0.000	1	109.3845	1.551	2	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[5,6]HH)2(CC3)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CC3){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	109.1555	1.165	2	109.1555	1.356	2	109.6564	1.415	27	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[5,6]HH)2(CCCH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	111.8720	0.000	1	109.9676	4.173	5	109.6564	1.415	27	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[5,6]HH)2(CCCH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	112.3210	0.000	1	109.9676	4.173	5	109.6564	1.415	27	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[5,6]HH)2(CCCH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	108.5483	0.862	3	109.9676	4.173	5	109.6564	1.415	27	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[5,6]HH)2(CCHH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	109.8149	0.734	10	109.9185	0.611	14	109.6564	1.415	27	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[5,6]HH)2(CCHH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	110.1775	0.951	4	109.9185	0.611	14	109.6564	1.415	27	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[5,6]HH)2(CC[6a]2H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CC[6a]2H){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	107.9800	1.420	2	107.9800	2.016	2	109.6564	1.415	27	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[5,6]HH)2(CC[6a]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CC[6a]HH){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	109.4390	0.585	4	109.4390	0.342	4	109.6564	1.415	27	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)2(CCHH){3|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	110.9867	0.393	6	110.9867	0.155	6	110.7740	0.446	7	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)2(CCHH)	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)2(CCHH){1|S<4>,2|C<4>}	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	109.4980	0.000	1	109.4980	0.000	1	110.7740	0.446	7	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC3)	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]N[6]HH)2(CC3){1|C<4>,2|S<4>}	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	109.3530	0.123	3	109.3530	0.015	3	108.5164	0.838	44	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC3)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC3){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|O<1>,2|H<1>}	107.2346	0.387	7	107.2346	0.150	7	108.5164	0.838	44	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CCCH)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CCCH){1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	108.9900	0.000	1	108.9900	0.000	1	108.5164	0.838	44	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CCHH)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	107.6770	0.000	1	107.6770	0.000	1	108.5164	0.838	44	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CCHH)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CCHH){1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	107.9330	0.520	3	107.9330	0.270	3	108.5164	0.838	44	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[5]HH)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	108.1320	0.000	1	108.1320	0.000	1	108.5164	0.838	44	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	108.6310	0.000	1	108.6310	0.000	1	108.5164	0.838	44	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|S<1>,2|H<1>}	107.4400	0.000	1	108.8118	1.334	5	108.5164	0.838	44	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,3|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,3|H<1>}	110.5210	0.000	1	108.8118	1.334	5	108.5164	0.838	44	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,4|H<1>}	108.6993	0.498	3	108.8118	1.334	5	108.5164	0.838	44	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	107.1225	1.206	2	107.1225	1.454	2	108.5164	0.838	44	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	108.7610	0.192	2	108.9510	0.085	18	108.5164	0.838	44	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,4|H<1>}	108.9688	0.297	12	108.9510	0.085	18	108.5164	0.838	44	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<3>,3|H<1>}	108.9928	0.339	4	108.9510	0.085	18	108.5164	0.838	44	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CN[6]HH)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]N[6]HH)2(CN[6]HH){1|C<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	109.6855	0.426	2	109.6855	0.182	2	108.5164	0.838	44	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:P[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	C[6](N[6]C[6]C)(P[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){3|C<4>}	C[6](N[6]C[6]C)(P[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]C)2(H)2{1|P<3>,4|H<1>}	110.7018	0.305	4	110.7018	0.093	4	110.7018	0.093	4	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[5,6]HH)2(C[6]C[6]2H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2	N[6](C[6]N[5,6]HH)2(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2{1|C<3>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2{1|C<3>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	109.1680	0.091	2	109.1680	0.008	2	109.1680	0.008	2	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	C[6](C[6]C[4,6]Si)(N[6]C[6]S)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,2|C<3>}	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[4,6]Si)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	116.7790	0.000	1	116.4543	0.619	3	116.4543	0.619	3	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	C[6](C[6]C[4,6]Si)(N[6]C[6]S)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,2|C<3>}	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]Si)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	116.2920	1.039	2	116.4543	0.619	3	116.4543	0.619	3	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	112.2500	0.000	1	112.2500	0.000	1	112.9890	1.092	2	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	113.7280	0.000	1	113.7280	0.000	1	112.9890	1.092	2	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	115.3656	0.314	5	115.3656	0.099	5	115.3656	0.099	5	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	110.9030	0.000	1	110.9030	0.000	1	110.9030	0.000	1	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|O<1>,2|H<1>}	112.1833	0.890	3	112.7836	1.072	5	112.7769	0.893	7	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	113.6840	0.037	2	112.7836	1.072	5	112.7769	0.893	7	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	113.4910	0.000	1	113.4910	0.000	1	112.7769	0.893	7	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]O)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.0290	0.000	1	112.0290	0.000	1	112.7769	0.893	7	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](N[6]C[6]S)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]S)2(H)2{1|C<3>,4|H<1>}	112.9257	1.051	4	112.9257	1.104	4	112.9257	1.104	4	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)2(SCOO)	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]S)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	N[6](C[6]N[6,6]HH)2(SCOO){1|S<4>,2|C<4>}	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,6|H<1>}	114.3680	0.000	1	114.3680	0.000	1	114.3680	0.000	1	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(SC[6a]OO)	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2	C[6](N[6]C[6]S)2(H)2	N[6](C[6]N[6]HH)2(SC[6a]OO){1|S<4>,2|C<4>}	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]S)2(H)2{1|N<3>,4|H<1>}	111.6932	0.605	6	111.6932	0.367	6	111.7446	0.319	8	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(SC[6a]OO)	C[6](N[6]C[6]S)2(H)2	C[6](N[6]C[6]S)2(H)2	N[6](C[6]N[6]HH)2(SC[6a]OO){1|C<4>,2|S<4>}	C[6](N[6]C[6]S)2(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]S)2(H)2{1|N<3>,4|H<1>}	111.8990	0.583	2	111.8990	0.339	2	111.7446	0.319	8	110.1058	4.339	155	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:Si-4:H-1:	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(SiC3)(H)	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6]C)2(SiC3)(H){1|N<3>,4|H<1>}	109.7357	0.360	4	109.7357	0.129	4	109.7357	0.129	4	109.7357	0.129	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{2|C<3>,2|C<4>,3|H<1>}	108.7662	0.066	4	108.7662	0.004	4	108.7662	0.004	4	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	109.5160	0.000	1	109.5160	0.000	1	110.2586	0.808	23	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	110.9840	0.000	1	110.9840	0.000	1	110.2586	0.808	23	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	110.0880	1.864	3	110.0880	3.475	3	110.2586	0.808	23	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	111.1610	0.000	1	110.5040	0.331	3	110.2586	0.808	23	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	110.1755	0.117	2	110.5040	0.331	3	110.2586	0.808	23	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	111.3900	0.000	1	111.3900	0.000	1	110.2586	0.808	23	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	110.3678	0.657	11	110.3678	0.432	11	110.2586	0.808	23	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(H)2	C[6](C[6]N[5a,6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	108.7590	0.000	1	108.7590	0.000	1	110.2586	0.808	23	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	109.7385	0.535	2	109.7385	0.287	2	110.2586	0.808	23	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	110.4800	0.000	1	110.4800	0.000	1	109.5296	0.990	8	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	110.9990	0.000	1	110.9990	0.000	1	109.5296	0.990	8	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	109.6930	0.000	1	108.9270	1.174	2	109.5296	0.990	8	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	108.1610	0.000	1	108.9270	1.174	2	109.5296	0.990	8	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(H)2	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	108.3850	0.000	1	108.3850	0.000	1	109.5296	0.990	8	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	109.5675	0.795	2	109.5063	0.328	3	109.5296	0.990	8	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	109.3840	0.000	1	109.5063	0.328	3	109.5296	0.990	8	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	109.3320	0.000	1	109.3320	0.000	1	109.3320	0.000	1	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)2(CCHH){4|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|N<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	111.6500	0.858	2	111.6500	0.737	2	111.6500	0.737	2	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,3|H<1>,6|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	110.6955	0.084	2	110.6955	0.007	2	110.8488	0.154	6	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,4|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	110.9255	0.481	4	110.9255	0.231	4	110.8488	0.154	6	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(PCCN)	C[6](N[6]C[6a]C[6])(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(PCCN){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]P)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|N<3>,4|H<1>}	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]S)(H)2	C[6](C[6]C[5,5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	117.1410	0.000	1	117.1410	0.000	1	114.6640	4.676	3	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6,6]C[5,5])(N[6]C[6]S)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	113.6980	0.000	1	113.6980	0.000	1	114.6640	4.676	3	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]NN)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|N<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]NN)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	113.1530	0.000	1	113.1530	0.000	1	114.6640	4.676	3	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	115.0080	0.000	1	115.0080	0.000	1	114.3649	0.490	11	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	113.4710	0.000	1	113.4710	0.000	1	114.3649	0.490	11	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|S<2>,2|H<1>}	114.6230	0.000	1	114.6230	0.000	1	114.3649	0.490	11	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2{1|O<2>,2|H<1>,3|C<3>}	113.5290	0.000	1	113.5290	0.000	1	114.3649	0.490	11	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	113.2100	0.000	1	113.2100	0.000	1	114.3649	0.490	11	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	114.6910	0.000	1	114.4150	0.152	2	114.3649	0.490	11	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	114.1390	0.000	1	114.4150	0.152	2	114.3649	0.490	11	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	115.1990	0.143	2	115.1990	0.020	2	114.3649	0.490	11	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	114.4725	0.022	2	114.4725	0.000	2	114.3649	0.490	11	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,6|H<1>}	110.1040	0.000	1	110.8440	0.813	3	110.8440	0.813	3	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,6|H<1>}	111.2140	0.897	2	110.8440	0.813	3	110.8440	0.813	3	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6](C[6]C[6,6a]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	111.4123	1.154	3	111.4123	1.332	3	111.4519	0.828	14	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	111.5219	0.926	10	111.5219	0.857	10	111.4519	0.828	14	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SNOO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SNOO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	110.8710	0.000	1	110.8710	0.000	1	111.4519	0.828	14	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[3,6]O)(N[6]C[6]S)(H)2	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|O<1>,3|C<4>}	C[6](C[6]C[3,6]O)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2{2|C<3>,4|H<1>}	113.1690	0.000	1	113.1690	0.000	1	113.1690	0.000	1	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<3>,4|H<1>}	115.6960	0.000	1	115.6960	0.000	1	115.6960	0.000	1	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]B)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]B)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	112.2540	0.000	1	112.2540	0.000	1	112.7425	0.385	19	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]BH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BH)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	113.9570	0.000	1	113.9570	0.000	1	112.7425	0.385	19	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	112.5590	0.000	1	112.5590	0.000	1	112.7425	0.385	19	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	112.0980	0.000	1	112.4637	0.210	3	112.7425	0.385	19	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	112.6465	0.469	2	112.4637	0.210	3	112.7425	0.385	19	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	112.5723	0.579	7	112.5723	0.335	7	112.7425	0.385	19	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	112.3930	0.000	1	112.8300	0.382	2	112.7425	0.385	19	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	113.2670	0.000	1	112.8300	0.382	2	112.7425	0.385	19	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|Si<3>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	113.7180	0.000	1	113.7180	0.000	1	112.7425	0.385	19	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]N)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	112.4830	0.000	1	112.4830	0.000	1	112.7425	0.385	19	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]S)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]S)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	112.4380	0.000	1	112.4380	0.000	1	112.7425	0.385	19	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	113.6410	0.000	1	113.6410	0.000	1	112.7425	0.385	19	111.5566	3.503	97	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	112.7970	3.503	2	112.7970	12.271	2	111.4040	11.957	3	114.8071	14.699	8	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	108.6180	0.000	1	108.6180	0.000	1	111.4040	11.957	3	114.8071	14.699	8	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]S)(H)2	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|H<1>,6|C<3>}	116.0765	2.494	2	116.0765	6.220	2	116.0765	6.220	2	114.8071	14.699	8	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	120.4000	0.000	1	120.4000	0.000	1	117.3640	7.590	3	114.8071	14.699	8	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	115.8460	1.164	2	115.8460	1.355	2	117.3640	7.590	3	114.8071	14.699	8	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){2|H<1>,4|C<3>}	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	114.0760	10.007	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(H)2	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<2>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|N<2>,2|H<1>}	116.7570	0.000	1	116.7570	0.000	1	116.7570	0.000	1	114.0760	10.007	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(SC[6a]OO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]S)(CCHH)(H){2|C<3>,2|H<1>}	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	114.0760	10.007	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	4:3:4:4:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CF3)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CF3)2{2|C<3>,2|H<1>}	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	109.5060	0.314	2	109.5060	0.099	2	109.5060	0.099	2	109.5060	0.099	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:2:1:	4:3:3:3:	C[6]-4:C[6]-4:S-4:	C[6a]-3:N[6]-3:S[6]-2:H-1:	C[6]-4:N[6]-3:C-3:C-3:	N[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(SC[6a]OO)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(S[6]C[6])(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(COO)2	N[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(S[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(COO)2{1|C<3>,1|S<2>,3|H<1>}	120.1080	0.000	1	120.1080	0.000	1	120.1080	0.000	1	120.1080	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	2:3:3:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	O[6]-2:N[6]-3:C-3:H-1:	N[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H)	C[6](O[6]C[6,6a])(N[6]C[6]S)(CCO)(H)	N[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(SC[6a]OO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]S)(CCO)(H){1|H<1>,1|N<3>,2|C<3>}	115.9630	0.000	1	115.9630	0.000	1	115.9630	0.000	1	115.9630	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	2:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H){1|H<1>,3|C<3>}	107.8390	0.000	1	107.8390	0.000	1	107.8390	0.000	1	107.8390	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:2:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:O[6]-2:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH){6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,5|C<3>}	108.9910	0.000	1	108.9910	0.000	1	108.8550	0.037	2	109.8593	3.045	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:2:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:O[6]-2:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH){6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,5|C<3>}	108.7190	0.000	1	108.7190	0.000	1	108.8550	0.037	2	109.8593	3.045	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:2:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:S[6]-2:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|S<2>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]C)(H){1|S<2>,3|H<1>,4|C<3>}	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1	109.8593	3.045	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH){5|C<3>}	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|H<1>,4|C<3>}	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	111.9342	12.826	9	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,3|C<3>}	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	111.9342	12.826	9	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	106.9970	0.000	1	106.9970	0.000	1	106.9970	0.000	1	111.9342	12.826	9	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	113.5120	0.092	2	113.5120	0.008	2	113.5120	0.008	2	111.9342	12.826	9	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H){3|C<3>,5|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	119.5960	0.000	1	119.5960	0.000	1	119.5960	0.000	1	111.9342	12.826	9	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|N<3>,2|H<1>,3|C<3>}	112.3970	0.000	1	112.3970	0.000	1	112.3970	0.000	1	111.9342	12.826	9	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|N<3>,2|H<1>,3|C<3>}	111.3120	0.000	1	111.1025	0.088	2	111.1025	0.088	2	111.9342	12.826	9	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){2|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|N<3>,2|H<1>,3|C<3>}	110.8930	0.000	1	111.1025	0.088	2	111.1025	0.088	2	111.9342	12.826	9	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:3:2:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(OH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(SC[6a]OO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(OH)(H){2|C<3>,2|H<1>}	123.1290	0.000	1	123.1290	0.000	1	123.1290	0.000	1	123.1290	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]N[6]H)2(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)2(CH3){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	106.7605	1.101	2	106.7605	1.212	2	106.7605	1.212	2	106.7605	1.212	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	110.1640	0.000	1	109.3018	0.211	10	109.3018	0.211	10	111.5437	13.926	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	109.7990	0.000	1	109.3018	0.211	10	109.3018	0.211	10	111.5437	13.926	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	109.1319	0.310	8	109.3018	0.211	10	109.3018	0.211	10	111.5437	13.926	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,2|H<1>,4|C<3>}	116.2400	0.000	1	116.2400	0.000	1	116.2400	0.000	1	111.5437	13.926	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)2(SC[6a]OO){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,3|H<1>,4|C<3>}	115.9745	3.752	4	115.9745	14.074	4	115.9745	14.074	4	111.5437	13.926	15	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]N[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	N[6](C[6]C[6,6a]N[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{1|N<3>,2|H<1>,4|C<3>}	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{2|H<1>,5|C<3>}	109.8810	1.276	2	109.8810	1.627	2	109.8810	1.627	2	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	111.8700	0.000	1	111.8700	0.000	1	111.8700	0.000	1	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]C)2(H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|N<3>,4|C<4>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	111.7465	1.074	2	111.7465	1.154	2	111.3332	0.847	4	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]C)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	110.9200	0.840	2	110.9200	0.706	2	111.3332	0.847	4	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	109.9495	0.646	2	109.9495	0.417	2	109.9495	0.417	2	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	105.1600	0.000	1	105.1600	0.000	1	110.6298	4.762	10	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	110.9958	1.506	4	110.9958	2.267	4	110.6298	4.762	10	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[6]C)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	112.0325	0.602	2	112.0325	0.362	2	110.6298	4.762	10	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	110.3550	0.000	1	110.3550	0.000	1	110.6298	4.762	10	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	111.3675	0.381	2	111.3675	0.145	2	110.6298	4.762	10	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH)	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]N[5,6]C[6a]H)(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]N[5,6]C[6a]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.7200	0.000	1	109.7200	0.000	1	109.7200	0.000	1	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SCOO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SCOO){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	115.2310	0.000	1	115.2310	0.000	1	115.2128	7.213	5	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	119.8280	0.000	1	119.8280	0.000	1	115.2128	7.213	5	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{1|H<1>,5|C<3>}	113.5930	0.000	1	113.5930	0.000	1	115.2128	7.213	5	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|N<3>,2|C<3>}	113.7060	0.622	2	113.7060	0.387	2	115.2128	7.213	5	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2{1|H<1>,5|C<3>}	114.0875	2.179	2	114.0875	4.746	2	114.0875	4.746	2	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	113.2300	0.000	1	113.0590	0.058	2	113.0590	0.058	2	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	112.8880	0.000	1	113.0590	0.058	2	113.0590	0.058	2	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|H<1>,1|N<3>,3|C<3>}	114.6880	0.000	1	114.6880	0.000	1	114.6880	0.000	1	111.8362	6.190	33	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	118.1205	0.011	2	118.1205	0.000	2	118.1205	0.000	2	115.9601	20.103	8	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNS)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNS)(H){1|H<1>,3|C<3>}	108.5690	0.000	1	108.5690	0.000	1	111.3253	17.952	3	115.9601	20.103	8	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	112.7035	4.950	2	112.7035	24.507	2	111.3253	17.952	3	115.9601	20.103	8	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(SC[6a]OO){1|N<3>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){3|H<1>,5|C<3>}	119.1547	0.460	3	119.1547	0.211	3	119.1547	0.211	3	115.9601	20.103	8	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|H<1>,3|C<3>}	108.0740	0.107	2	108.0740	0.012	2	108.0740	0.012	2	112.7725	13.058	11	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	109.9010	0.212	2	109.9010	0.045	2	109.9010	0.045	2	112.7725	13.058	11	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,2|C<3>}	114.1940	0.000	1	114.1940	0.000	1	112.3140	7.069	2	112.7725	13.058	11	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	110.4340	0.000	1	110.4340	0.000	1	112.3140	7.069	2	112.7725	13.058	11	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[3]OO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[3]OO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H){1|H<1>,3|C<3>}	117.2970	0.000	1	117.2970	0.000	1	117.3120	0.000	2	112.7725	13.058	11	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H){1|H<1>,3|C<3>}	117.3270	0.000	1	117.3270	0.000	1	117.3120	0.000	2	112.7725	13.058	11	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(CCHH)(H){1|H<1>,1|N<3>,3|C<3>}	116.9140	0.000	1	116.9140	0.000	1	116.9140	0.000	1	112.7725	13.058	11	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:S-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SO3)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SO3){1|O<2>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H){1|C<3>,1|H<1>,1|N<3>}	114.1910	0.000	2	114.1910	0.000	2	114.1910	0.000	2	112.7725	13.058	11	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:Si-4:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6]C)2(SiC[6]CC)(H)	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	C[6](N[6]C[6]C)2(SiC[6]CC)(H){1|N<3>,4|H<1>}	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<3>,3|H<1>}	109.4490	0.508	4	109.4490	0.258	4	109.4490	0.258	4	110.8908	5.307	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	114.4130	0.000	1	114.4130	0.000	1	113.7745	0.815	2	110.8908	5.307	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	113.1360	0.000	1	113.1360	0.000	1	113.7745	0.815	2	110.8908	5.307	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	112.3360	0.000	1	112.3360	0.000	1	112.8100	0.449	2	112.4667	5.283	20	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	113.2840	0.000	1	113.2840	0.000	1	112.8100	0.449	2	112.4667	5.283	20	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	108.4180	0.000	1	108.4180	0.000	1	108.4180	0.000	1	112.4667	5.283	20	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	110.6160	0.000	1	110.6160	0.000	1	111.4227	2.349	11	112.4667	5.283	20	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	109.9510	0.078	2	109.9510	0.006	2	111.4227	2.349	11	112.4667	5.283	20	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	112.7640	0.000	1	112.7640	0.000	1	111.4227	2.349	11	112.4667	5.283	20	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	111.1240	0.173	2	112.1712	2.943	5	111.4227	2.349	11	112.4667	5.283	20	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	112.8693	2.011	3	112.1712	2.943	5	111.4227	2.349	11	112.4667	5.283	20	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	110.7560	1.116	2	110.7560	1.245	2	111.4227	2.349	11	112.4667	5.283	20	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,4|C<3>}	113.9920	0.000	1	113.9920	0.000	1	113.9920	0.000	1	112.4667	5.283	20	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	114.8175	1.637	4	114.8175	2.680	4	115.1308	2.500	5	112.4667	5.283	20	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	116.3840	0.000	1	116.3840	0.000	1	115.1308	2.500	5	112.4667	5.283	20	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	112.5900	0.000	1	111.5925	1.990	2	111.5925	1.990	2	111.5925	1.990	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	110.5950	0.000	1	111.5925	1.990	2	111.5925	1.990	2	111.5925	1.990	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>}	119.3050	0.000	1	119.3050	0.000	1	119.3050	0.000	1	117.3060	7.992	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(SCOO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CHHS)(CH3)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(SCOO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CHHS)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>}	115.3070	0.000	1	115.3070	0.000	1	115.3070	0.000	1	117.3060	7.992	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:H-1:	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C[6])(C[6]N[6]O)(H)2	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[5,6]C[6])(C[6]N[6]O)(H)2{3|H<1>,4|C<4>}	109.5210	0.000	1	109.5210	0.000	1	109.5210	0.000	1	109.5210	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2{2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	110.3215	0.179	2	110.3215	0.032	2	110.2142	0.089	4	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	110.4140	0.000	1	110.1070	0.188	2	110.2142	0.089	4	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2{2|Cl<1>,1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	109.8000	0.000	1	110.1070	0.188	2	110.2142	0.089	4	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[3]C[3]2H)(C[6]C[6]HH)2	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2	N[6](C[3]C[3]2H)(C[6]C[6]HH)2{1|C<3>,1|O<2>,7|H<1>}	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	109.2650	0.000	1	108.1270	2.590	2	108.1270	2.590	2	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[3]C[3]2H)(C[6]C[6]HH)2	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2	N[6](C[3]C[3]2H)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	106.9890	0.000	1	108.1270	2.590	2	108.1270	2.590	2	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[4,5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[4,5]C[4,5]B[4]C[5])(C[6]C[6]HH)2	C[6](N[6]C[4,5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[4,5]C[6])(C[6]C[6]HH)(H)2	N[6](C[4,5]C[4,5]B[4]C[5])(C[6]C[6]HH)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|F<1>,4|H<1>}	C[6](N[6]C[4,5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[4,5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,2|C<3>,4|H<1>}	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[4]C[4,6a]C[4]C)(C[6]C[6]HH)2	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2	N[6](C[4]C[4,6a]C[4]C)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	108.9565	0.506	4	108.9565	0.256	4	109.0257	0.679	6	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[4]C[4]2H)(C[6]C[6]HH)2	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2	N[6](C[4]C[4]2H)(C[6]C[6]HH)2{1|N<3>,1|O<2>,8|H<1>}	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	108.0310	0.000	1	108.0310	0.000	1	109.0257	0.679	6	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[4]C[4]2Sn)(C[6]C[6]HH)2	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	N[6](C[4]C[4]2Sn)(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|Sn<5>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|Sn<5>,1|C<4>,2|C<3>,4|H<1>}	110.2970	0.000	1	110.2970	0.000	1	109.0257	0.679	6	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,5,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5,5,6]C[5,6]2O[5,5])(C[6]C[6]HH)2	C[6](N[6]C[5,5,6]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5,5,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[5,5,6]C[5,6]2O[5,5])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<2>,3|C<4>,5|H<1>}	C[6](N[6]C[5,5,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[6]C[5,5,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2{1|C<4>,4|H<1>,6|C<3>}	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	109.5390	0.181	2	109.7770	0.186	3	109.7770	0.186	3	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2{2|C<4>,4|H<1>,5|C<3>}	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	110.2530	0.000	1	109.7770	0.186	3	109.7770	0.186	3	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2{1|N<3>,3|C<4>,7|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.5560	0.000	1	110.5560	0.000	1	109.7347	1.499	24	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	109.5760	0.000	1	109.5760	0.000	1	109.7347	1.499	24	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5,6a]2H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5,6a]2H)(C[6]C[6]HH)2{1|O<2>,4|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	110.2693	0.353	3	110.2693	0.124	3	109.7347	1.499	24	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	108.8020	0.000	1	108.8020	0.000	1	109.7347	1.499	24	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.1850	0.000	1	109.1850	0.000	1	109.7347	1.499	24	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	108.9190	0.132	2	108.9190	0.017	2	109.7347	1.499	24	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	111.4670	0.000	1	111.4670	0.000	1	109.7347	1.499	24	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.4640	0.000	1	110.4640	0.000	1	109.7347	1.499	24	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	109.8010	0.321	2	109.8010	0.103	2	109.7347	1.499	24	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|B<4>,3|C<4>,7|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	109.9300	0.307	2	109.9300	0.094	2	109.7347	1.499	24	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,8|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{3|H<1>,4|C<4>}	108.5615	0.218	4	108.5987	0.069	6	109.7347	1.499	24	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|N<4>,3|C<3>,6|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	108.6730	0.431	2	108.5987	0.069	6	109.7347	1.499	24	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5]2Ti)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5]2Ti)(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Ti<13>,3|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Ti<13>,3|C<4>,4|H<1>}	112.6365	0.364	2	112.6365	0.133	2	109.7347	1.499	24	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	108.6090	0.000	1	108.6090	0.000	1	109.7347	1.499	24	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[3x6]2H)(C[6]C[6]HH)2	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[3x6]2H)(C[6]C[6]HH)2{2|C<3>,3|C<4>,6|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	109.0360	0.000	1	109.0360	0.000	1	108.5211	0.383	7	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)2	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)2{2|C<3>,2|C<4>,7|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	108.7810	0.000	1	108.7810	0.000	1	108.5211	0.383	7	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2{1|O<2>,3|C<4>,7|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	108.4310	0.000	1	108.4310	0.000	1	108.5211	0.383	7	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,3|O<2>,7|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	108.8980	0.000	1	108.3500	0.613	4	108.5211	0.383	7	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	107.9220	0.000	1	108.3500	0.613	4	108.5211	0.383	7	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	109.1110	0.000	1	108.3500	0.613	4	108.5211	0.383	7	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{2|O<2>,3|C<4>,7|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	107.4690	0.000	1	108.3500	0.613	4	108.5211	0.383	7	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:P[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(P[6]N[6]2O)	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(P[6]N[6]2O){1|C<4>,2|P<4>,4|H<1>}	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<2>,4|H<1>}	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<2>,4|H<1>}	112.4000	0.000	1	112.4000	0.000	1	111.9317	1.980	3	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:P[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(P[6]O[6]2O)	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(P[6]O[6]2O){1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,1|P<4>,2|H<1>,2|O<2>}	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,1|P<4>,2|H<1>,2|O<2>}	113.0450	0.000	1	113.0450	0.000	1	111.9317	1.980	3	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:P[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(P[6]O[6]2S)	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(P[6]O[6]2S){1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,1|S<1>,2|H<1>,2|O<2>}	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,1|S<1>,2|H<1>,2|O<2>}	110.3500	0.000	1	110.3500	0.000	1	111.9317	1.980	3	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	N[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](N[4]C[6,6]Ga[4]2)(C[6]C[6]HH)2	C[6](N[6]C[6]N[4])(C[6]C[6]HH)(H)2	C[6](N[6]C[6]N[4])(C[6]C[6]HH)(H)2	N[6](N[4]C[6,6]Ga[4]2)(C[6]C[6]HH)2{1|N<4>,5|H<1>,7|C<4>}	C[6](N[6]C[6]N[4])(C[6]C[6]HH)(H)2{2|Ga<4>,2|C<4>,4|H<1>}	C[6](N[6]C[6]N[4])(C[6]C[6]HH)(H)2{2|Ga<4>,2|C<4>,4|H<1>}	111.2157	0.641	4	111.2157	0.411	4	111.2157	0.411	4	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	P[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2{1|N<3>,1|P<4>,2|C<4>,4|H<1>}	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Cu<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Cu<3>,2|C<4>,2|H<1>,2|N<3>}	112.5075	0.405	2	112.5230	0.083	3	112.5054	0.227	5	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	P[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2{1|N<3>,1|P<4>,2|C<4>,4|H<1>}	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>,2|N<3>}	112.5540	0.000	1	112.5230	0.083	3	112.5054	0.227	5	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	P[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2{1|O<2>,1|P<4>,2|C<4>,4|H<1>}	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2{1|Cu<4>,1|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2{1|Cu<4>,1|C<4>,2|H<1>,2|N<3>}	111.8700	0.000	1	111.8700	0.000	1	112.5054	0.227	5	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	P[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](P[4]N[4]2Se)(C[6]C[6]HH)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	N[6](P[4]N[4]2Se)(C[6]C[6]HH)2{1|N<4>,1|P<4>,2|C<4>,4|H<1>}	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Se<1>,2|H<1>,2|N<3>,3|C<4>}	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Se<1>,2|H<1>,2|N<3>,3|C<4>}	113.0880	0.000	1	113.0880	0.000	1	112.5054	0.227	5	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	P[6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](P[6]C[6]2N[6])(C[6]C[6]HH)2	C[6](N[6]C[6]P[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6]P[6])(C[6]O[6]HH)(H)2	N[6](P[6]C[6]2N[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[6]C[6]P[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]P[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.8160	0.055	2	109.8160	0.003	2	111.2758	3.495	4	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	P[6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](P[6]C[6a]N[6]2)(C[6]C[6]HH)2	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	N[6](P[6]C[6a]N[6]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|P<4>,4|H<1>}	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<2>,4|H<1>}	111.7460	0.000	1	111.7460	0.000	1	111.2758	3.495	4	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	P[6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6](P[6]N[6]2Cl)(C[6]C[6]HH)2	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	N[6](P[6]N[6]2Cl)(C[6]C[6]HH)2{1|C<4>,2|P<4>,4|H<1>}	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|N<2>,4|H<1>}	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|N<2>,4|H<1>}	113.7250	0.000	1	113.7250	0.000	1	111.2758	3.495	4	110.0317	2.374	64	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	111.8350	13.876	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	114.4690	0.000	1	114.4690	0.000	1	114.4690	0.000	1	111.8350	13.876	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:3:2:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O[6]-2:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	112.8380	0.000	1	112.8380	0.000	1	113.5320	0.258	4	113.5320	0.258	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:3:2:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O[6]-2:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	113.7633	0.255	3	113.7633	0.065	3	113.5320	0.258	4	113.5320	0.258	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	115.3990	0.000	1	115.3990	0.000	1	115.3990	0.000	1	116.9564	2.081	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	115.4980	0.000	1	115.4980	0.000	1	117.3458	1.764	4	116.9564	2.081	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.1470	0.000	1	118.1470	0.000	1	117.3458	1.764	4	116.9564	2.081	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	117.8690	0.829	2	117.8690	0.687	2	117.3458	1.764	4	116.9564	2.081	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCHH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	111.8670	0.170	2	111.8670	0.029	2	111.6535	2.107	19	111.6535	2.107	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	110.2595	0.226	2	110.2595	0.051	2	111.6535	2.107	19	111.6535	2.107	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	112.7660	0.000	1	112.7660	0.000	1	111.6535	2.107	19	111.6535	2.107	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	111.5110	0.000	1	109.8835	5.298	2	111.6535	2.107	19	111.6535	2.107	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	108.2560	0.000	1	109.8835	5.298	2	111.6535	2.107	19	111.6535	2.107	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	112.0702	1.382	11	112.0525	1.741	12	111.6535	2.107	19	111.6535	2.107	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.8580	0.000	1	112.0525	1.741	12	111.6535	2.107	19	111.6535	2.107	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	111.2455	0.459	4	111.2455	0.211	4	111.2455	0.211	4	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	112.1095	0.384	2	112.1095	0.147	2	111.9860	0.119	3	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	111.7390	0.000	1	111.7390	0.000	1	111.9860	0.119	3	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]N[6])(N[6]C[6]ReH)(N[6]C[6]C)(H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[6]ReH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<4>,3|H<1>}	108.9240	0.000	1	108.9240	0.000	1	108.9240	0.000	1	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	111.6120	1.373	3	111.6120	1.884	3	111.0394	1.196	17	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	112.8070	0.000	1	112.8070	0.000	1	111.0394	1.196	17	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]HH){2|C<3>,2|O<2>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	110.4270	0.000	1	110.4270	0.000	1	111.0394	1.196	17	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	110.8470	0.059	2	110.8470	0.004	2	111.0394	1.196	17	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.9412	0.987	5	110.9412	0.975	5	111.0394	1.196	17	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	111.8230	0.216	2	111.8230	0.047	2	111.0394	1.196	17	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,2|F<1>}	110.8010	0.000	1	110.8010	0.000	1	111.0394	1.196	17	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	109.3765	0.059	2	109.3765	0.003	2	111.0394	1.196	17	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	113.6050	0.000	1	113.6050	0.000	1	113.6050	0.000	1	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]S)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	112.6420	0.000	1	112.6420	0.000	1	113.9751	6.128	12	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	119.1010	0.000	1	119.1010	0.000	1	113.9751	6.128	12	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	117.1030	0.000	1	117.1030	0.000	1	113.9751	6.128	12	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.8060	0.571	2	112.5345	5.050	4	113.9751	6.128	12	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	115.7830	0.000	1	112.5345	5.050	4	113.9751	6.128	12	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	110.7430	0.000	1	112.5345	5.050	4	113.9751	6.128	12	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	114.2540	0.160	2	113.8543	1.868	4	113.9751	6.128	12	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	113.4545	2.222	2	113.8543	1.868	4	113.9751	6.128	12	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]S)(H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	113.3000	0.000	1	113.3000	0.000	1	113.9751	6.128	12	112.0227	4.422	39	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:3:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(SC[6a]OO){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	115.6960	4.330	2	115.6960	18.752	2	115.6960	18.752	2	115.6960	18.752	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:S-4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	118.3430	0.211	2	118.3430	0.044	2	118.3430	0.044	2	118.5530	0.180	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	119.1630	0.000	1	119.1630	0.000	1	118.7630	0.320	2	118.5530	0.180	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	118.3630	0.000	1	118.3630	0.000	1	118.7630	0.320	2	118.5530	0.180	4	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	3:4:4:4:	3:4:4:4:	B[3,3]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6](B[3,3]Si[3,3]O[3]2)(C[6]C[6]CC)2	C[6](N[6]B[3,3]C[6])(C[6]C[6]HH)(CH3)2	C[6](N[6]B[3,3]C[6])(C[6]C[6]HH)(CH3)2	N[6](B[3,3]Si[3,3]O[3]2)(C[6]C[6]CC)2{2|Si<4>,1|C<4>,4|H<1>}	C[6](N[6]B[3,3]C[6])(C[6]C[6]HH)(CH3)2{1|Si<5>,2|H<1>,2|O<2>,3|C<4>}	C[6](N[6]B[3,3]C[6])(C[6]C[6]HH)(CH3)2{1|Si<5>,2|H<1>,2|O<2>,3|C<4>}	122.0840	0.000	1	122.0840	0.000	1	122.0840	0.000	1	122.0840	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:2:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,4|H<1>}	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	110.0230	0.000	1	110.0230	0.000	1	110.0230	0.000	1	110.0230	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	110.6527	0.747	4	110.6527	0.558	4	110.9109	1.448	34	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	109.3810	0.979	2	109.3810	0.958	2	110.9109	1.448	34	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	111.6870	0.000	1	111.6870	0.000	1	110.9109	1.448	34	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	111.1073	1.190	26	111.1073	1.416	26	110.9109	1.448	34	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	109.1230	0.000	1	109.1230	0.000	1	110.9109	1.448	34	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	109.8330	0.000	1	109.8330	0.000	1	109.8330	0.000	1	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]HH)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	108.0060	0.000	1	108.0060	0.000	1	108.0060	0.000	1	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{3|C<4>,4|H<1>}	109.2740	0.000	1	109.2740	0.000	1	109.2740	0.000	1	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	108.1560	0.000	1	108.1560	0.000	1	110.3051	2.233	12	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	110.3783	1.067	6	110.3783	1.138	6	110.3051	2.233	12	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	112.0705	2.600	2	112.0705	6.760	2	110.3051	2.233	12	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	109.6730	0.000	1	109.6730	0.000	1	110.3051	2.233	12	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	109.7105	0.350	2	109.7105	0.123	2	110.3051	2.233	12	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	110.0180	0.360	4	110.0180	0.129	4	110.0524	0.140	12	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	110.0696	0.405	8	110.0696	0.164	8	110.0524	0.140	12	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3)	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3){1|Ga<4>,3|C<4>}	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<4>,3|H<1>}	107.7850	0.000	1	107.7850	0.000	1	107.7850	0.000	1	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6]HH)	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[6]HH){1|Cu<5>,3|C<4>}	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<4>,4|H<1>}	110.7380	0.000	1	110.7380	0.000	1	109.6589	1.130	7	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){1|Cu<5>,3|C<4>}	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<4>,4|H<1>}	110.2810	0.000	1	110.2810	0.000	1	109.6589	1.130	7	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3){1|Al<4>,3|C<4>}	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2{1|Al<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6]C)2(H)2{1|Al<4>,1|N<4>,3|H<1>}	108.2185	0.329	2	108.7097	0.778	3	109.6589	1.130	7	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3){1|Al<4>,3|C<4>}	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2{1|Si<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<4>,3|H<1>}	109.6920	0.000	1	108.7097	0.778	3	109.6589	1.130	7	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3){1|H<1>,3|C<4>}	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<4>,4|H<1>}	110.2320	0.560	2	110.2320	0.314	2	109.6589	1.130	7	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	P[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	C[6](P[6]C[6]PdC)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){1|Pd<4>,3|C<4>}	C[6](P[6]C[6]PdC)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]C)2(H)2{1|P<4>,4|H<1>}	111.1640	0.528	2	111.1640	0.278	2	111.1640	0.278	2	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6]2)2(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6]2)2(H)2{5|H<1>,6|C<4>}	109.6010	0.000	1	109.6010	0.000	1	109.6010	0.000	1	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	C[6](C[6]C[5,6,6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	114.4170	0.034	2	114.4170	0.001	2	114.4170	0.001	2	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6]OO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6]OO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	114.4430	0.000	1	114.4430	0.000	1	114.4430	0.000	1	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(H)2	C[6](C[6,6]C[5,6,6]C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	116.5550	0.000	1	116.5550	0.000	1	116.5550	0.000	1	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.7950	0.000	1	112.7950	0.000	1	113.2310	1.213	9	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2{3|H<1>,4|C<4>}	112.9930	0.000	1	112.9930	0.000	1	113.2310	1.213	9	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	111.8660	0.000	1	113.4820	5.223	2	113.2310	1.213	9	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	115.0980	0.000	1	113.4820	5.223	2	113.2310	1.213	9	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	113.4510	0.000	1	113.4510	0.000	1	113.2310	1.213	9	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	114.7270	0.000	1	114.7270	0.000	1	113.2310	1.213	9	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	112.7163	0.716	3	112.7163	0.512	3	113.2310	1.213	9	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]S)(H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,4|C<3>}	113.0680	0.000	1	113.0680	0.000	1	113.0753	0.058	3	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	113.3190	0.000	1	113.0790	0.115	2	113.0753	0.058	3	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	112.8390	0.000	1	113.0790	0.115	2	113.0753	0.058	3	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	112.7205	0.842	2	112.7205	0.709	2	112.4377	0.595	3	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6,6]O)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.8720	0.000	1	111.8720	0.000	1	112.4377	0.595	3	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	C[6](C[6,6]C[5,6]C[6,6])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(N[6]C[6]S)(H)2{2|H<1>,5|C<4>}	111.9480	0.000	1	111.9480	0.000	1	112.0865	0.038	2	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{3|C<4>,4|H<1>}	112.2250	0.000	1	112.2250	0.000	1	112.0865	0.038	2	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	112.2840	0.000	1	113.5160	3.036	2	112.9112	0.998	10	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	114.7480	0.000	1	113.5160	3.036	2	112.9112	0.998	10	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]FH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,3|H<1>}	113.8100	0.000	1	113.8100	0.000	1	112.9112	0.998	10	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	112.7370	1.895	2	112.5845	1.234	4	112.9112	0.998	10	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<4>,3|H<1>}	112.3370	0.000	1	112.5845	1.234	4	112.9112	0.998	10	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<4>,3|H<1>}	112.5270	0.000	1	112.5845	1.234	4	112.9112	0.998	10	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	112.8120	0.000	1	112.7375	0.011	2	112.9112	0.998	10	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|Cl<1>,1|C<4>,2|H<1>}	112.6630	0.000	1	112.7375	0.011	2	112.9112	0.998	10	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]O[6]O)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,2|H<1>}	C[6](C[6]O[6]O)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	112.4570	0.000	1	112.4570	0.000	1	112.9112	0.998	10	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](N[6]C[6]S)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]S)2(H)2{1|C<4>,4|H<1>}	113.0325	0.514	2	113.0325	0.264	2	113.0325	0.264	2	111.2714	3.107	106	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	116.1510	2.788	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:S-4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCCH)(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCCH)(H){2|C<4>,2|H<1>}	117.4070	0.000	1	117.4070	0.000	1	116.7968	0.501	9	116.1510	2.788	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:S-4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|H<1>}	116.4893	0.719	3	116.4696	0.260	5	116.7968	0.501	9	116.1510	2.788	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:S-4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|H<1>}	116.4030	0.000	1	116.4696	0.260	5	116.7968	0.501	9	116.1510	2.788	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:S-4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|H<1>,3|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	116.4770	0.000	1	116.4696	0.260	5	116.7968	0.501	9	116.1510	2.788	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:S-4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	117.1387	0.924	3	117.1387	0.853	3	116.7968	0.501	9	116.1510	2.788	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CCCH)(H){1|C<4>,3|H<1>}	116.2630	0.000	1	116.2630	0.000	1	116.2630	0.000	1	116.1510	2.788	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]CH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](N[6]C[6]S)2(CC[6a]CH)(H)	N[6](C[6]C[6]HH)(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6]S)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	115.7015	0.155	2	115.7015	0.024	2	115.7015	0.024	2	116.1510	2.788	13	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	3:3:4:3:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:C-3:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS){1|C<4>,3|H<1>}	113.2220	0.000	1	113.2220	0.000	1	113.2220	0.000	1	113.2220	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](CC[5,6,6]HH)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](CC[5,6,6]HH)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	107.9262	0.206	4	107.9262	0.042	4	108.6243	2.176	16	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](CC[5a]C[6a]2)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](CC[5a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	107.0410	0.000	1	107.0410	0.000	1	108.6243	2.176	16	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](CC[5a]C[6a]H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](CC[5a]C[6a]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	107.8960	0.000	1	107.8960	0.000	1	108.6243	2.176	16	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](CC[6a]C[6]H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](CC[6a]C[6]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	108.5600	0.000	1	108.5600	0.000	1	108.6243	2.176	16	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](CC[6a]N[5]H)(C[6]C[6]HH)2	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2	N[6](CC[6a]N[5]H)(C[6]C[6]HH)2{1|Se<2>,4|H<1>}	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.8380	0.000	1	112.8380	0.000	1	108.6243	2.176	16	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	109.8770	1.445	2	109.8770	2.089	2	108.6243	2.176	16	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	108.3657	0.910	6	108.3657	0.827	6	108.6243	2.176	16	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]HH){1|C<4>,2|C<3>,2|O<2>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|H<1>,4|C<4>}	113.3220	0.000	1	113.3220	0.000	1	113.3220	0.000	1	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	112.6460	0.000	1	112.6460	0.000	1	113.8818	0.536	5	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	113.9860	0.000	1	114.1908	0.079	4	113.8818	0.536	5	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	114.2590	0.300	3	114.1908	0.079	4	113.8818	0.536	5	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	110.5750	0.000	1	110.5750	0.000	1	111.4095	1.393	2	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2{1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,4|H<1>}	112.2440	0.000	1	112.2440	0.000	1	111.4095	1.393	2	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	110.4560	0.000	1	110.4560	0.000	1	109.9135	0.589	2	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	109.3710	0.000	1	109.3710	0.000	1	109.9135	0.589	2	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	109.7250	4.114	3	109.7250	16.922	3	110.7029	10.751	7	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	108.6590	0.000	1	108.6590	0.000	1	110.7029	10.751	7	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)2(CH3)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	113.9620	0.000	2	113.9620	0.000	2	110.7029	10.751	7	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)2(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)2(CH3){1|C<3>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	109.1620	0.000	1	109.1620	0.000	1	110.7029	10.751	7	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.9380	0.000	1	110.9380	0.000	1	109.9427	2.577	15	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	106.3240	0.000	1	106.3240	0.000	1	109.9427	2.577	15	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(H)2	C[6](C[6]N[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]N[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.9400	0.000	1	108.9400	0.000	1	109.9427	2.577	15	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	108.9670	0.296	2	108.9670	0.087	2	109.9427	2.577	15	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[4]N[5])(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[4]N[5])(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	111.3060	0.000	1	111.3060	0.000	1	109.9427	2.577	15	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	111.0560	0.000	1	111.0560	0.000	1	109.9427	2.577	15	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	108.9840	0.000	1	108.9840	0.000	1	109.9427	2.577	15	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]CO)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CO)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	112.7470	0.000	1	112.7470	0.000	1	109.9427	2.577	15	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	109.5703	0.575	3	109.5703	0.331	3	109.9427	2.577	15	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	112.0120	0.000	1	112.0120	0.000	1	109.9427	2.577	15	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	109.1720	0.000	1	109.1720	0.000	1	109.9427	2.577	15	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	111.0170	0.000	1	111.0170	0.000	1	109.9427	2.577	15	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC3)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC3){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	109.1310	0.000	1	109.1310	0.000	1	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCCH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCCH){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	109.3410	0.000	1	109.3410	0.000	1	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]Cl)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){1|Cl<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2{1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]Cl)(N[6]C[6]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	113.3830	0.000	1	113.3830	0.000	1	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	112.4326	0.187	5	112.4326	0.035	5	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	112.6400	0.000	1	113.2767	0.316	3	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	113.5950	0.154	2	113.2767	0.316	3	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	111.2060	0.000	1	110.9870	0.114	3	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	111.1570	0.000	1	110.9870	0.114	3	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<4>,6|H<1>}	110.5980	0.000	1	110.9870	0.114	3	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[3]HH)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[3]HH){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<4>,3|C<4>,4|H<1>}	111.0780	0.000	1	111.0780	0.000	1	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]2H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]2H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	110.5165	0.313	2	110.5165	0.098	2	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]CH)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]CH){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	111.6695	1.925	2	111.6695	3.707	2	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	110.9320	2.705	2	110.6792	2.656	4	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.4265	0.627	2	110.6792	2.656	4	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<3>,3|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	111.7710	0.000	1	111.5352	0.386	4	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<4>,3|C<3>}	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	111.4567	0.736	3	111.5352	0.386	4	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<2>,3|C<4>,4|H<1>}	109.6100	0.000	1	110.5348	0.527	5	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	110.5997	0.595	3	110.5348	0.527	5	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	111.2650	0.000	1	110.5348	0.527	5	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	110.4990	0.000	1	110.4990	0.000	1	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|S<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|S<2>,5|H<1>}	111.7840	0.000	1	110.4808	1.332	5	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|S<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|S<4>,5|H<1>}	109.9500	0.000	1	110.4808	1.332	5	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,1|S<4>,5|H<1>}	109.0330	0.000	1	110.4808	1.332	5	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|S<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|S<3>,6|H<1>}	111.5340	0.000	1	110.4808	1.332	5	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<2>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<2>,1|S<4>,2|C<4>,4|H<1>}	110.1030	0.000	1	110.4808	1.332	5	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	110.7620	0.000	1	110.7620	0.000	1	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	110.2090	0.516	2	110.2090	0.266	2	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	110.2930	0.000	1	110.2930	0.000	1	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<2>,3|C<4>,4|H<1>}	109.1890	0.000	1	109.1890	0.000	1	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	110.8280	0.645	2	110.7811	1.242	10	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,6|H<1>}	113.0570	0.000	1	110.7811	1.242	10	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	110.6650	0.941	5	110.7811	1.242	10	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|P<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|P<4>,3|H<1>}	109.4560	0.000	1	110.7811	1.242	10	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,6|H<1>}	110.3170	0.000	1	110.7811	1.242	10	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	110.4910	0.000	1	110.4910	0.000	1	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3){1|C<4>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	111.1645	0.144	2	111.1645	0.021	2	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	111.2130	0.000	1	111.2130	0.000	1	111.0386	1.465	57	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]N[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]N[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,3|H<1>}	112.0850	0.000	1	112.0850	0.000	1	112.0850	0.000	1	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC3)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC3){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.9270	0.018	2	108.9270	0.000	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	107.9120	0.260	3	107.9120	0.068	3	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	108.4460	0.000	1	108.1530	0.172	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	107.8600	0.000	1	108.1530	0.172	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.3440	0.000	1	108.3440	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC3)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	107.7155	0.080	2	107.7155	0.006	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]C[5a]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCCH){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	110.1520	0.000	1	110.1520	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	110.3357	0.113	3	110.3357	0.013	3	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCCH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	109.3370	0.346	2	109.3370	0.120	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	109.6145	0.478	4	109.6145	0.229	4	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCCH){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.4640	0.000	1	112.4640	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	110.2830	0.000	1	110.2830	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	110.0623	0.905	3	110.0623	0.818	3	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	117.9410	0.000	1	110.0106	1.668	77	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.4867	0.969	3	110.0106	1.668	77	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	109.8015	1.001	2	110.0106	1.668	77	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	109.4678	0.396	6	110.0106	1.668	77	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	109.0595	0.695	2	110.0106	1.668	77	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	109.9721	0.944	60	110.0106	1.668	77	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	110.5197	0.954	3	110.0106	1.668	77	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<2>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.4390	0.000	1	108.5980	0.837	137	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.4523	0.902	55	108.5980	0.837	137	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	109.2475	0.114	2	108.5980	0.837	137	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	109.7930	0.000	1	108.5980	0.837	137	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	108.5686	0.831	65	108.5980	0.837	137	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	109.0665	0.857	8	108.5980	0.837	137	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	108.4032	0.042	4	108.5980	0.837	137	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	109.2120	0.000	1	108.5980	0.837	137	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	108.7090	0.898	75	108.7090	0.806	75	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	111.2595	0.822	4	111.2595	0.676	4	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[3]CH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[3]CH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	108.2460	0.000	1	108.2460	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.3800	1.124	9	110.2779	1.228	10	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	109.3590	0.000	1	110.2779	1.228	10	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	107.7177	0.516	8	108.0015	0.799	10	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	109.1365	1.452	2	108.0015	0.799	10	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	108.7233	0.348	4	108.7233	0.121	4	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	110.8480	0.000	1	110.8480	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	109.5930	0.501	2	109.5930	0.251	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]CH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]CH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	109.9460	0.000	1	109.9460	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	109.7785	0.612	2	109.7785	0.374	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	109.5710	0.000	1	109.5710	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	108.9680	0.180	2	108.9680	0.032	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]CH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]CH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	107.5110	0.000	1	107.5110	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.0945	0.187	2	110.0945	0.035	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.4977	0.825	4	108.8478	0.703	10	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	108.4145	0.541	6	108.8478	0.703	10	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	108.4050	0.610	4	108.4050	0.373	4	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	109.4950	0.150	2	109.4950	0.022	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	109.2653	0.522	3	109.2653	0.272	3	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	107.8659	0.590	10	107.8509	0.582	37	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	107.5240	0.000	1	107.8509	0.582	37	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	108.3170	0.000	1	107.8509	0.582	37	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	107.2822	0.310	5	107.8509	0.582	37	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	108.1988	0.673	5	107.8509	0.582	37	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	108.4980	1.228	4	107.8509	0.582	37	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	109.3230	0.000	1	107.8509	0.582	37	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	107.5263	0.638	10	107.8509	0.582	37	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	107.7193	0.465	6	107.7193	0.216	6	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	109.6500	0.000	1	110.0680	1.170	4	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.2073	1.280	3	110.0680	1.170	4	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	108.3824	1.069	7	108.3824	1.142	7	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	110.8550	0.000	1	110.8550	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.6705	0.499	2	109.6705	0.249	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.7570	0.000	1	109.7570	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	109.9100	1.080	4	109.9100	1.166	4	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]FF)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|H<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]FF)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.3620	0.000	1	110.3620	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	110.2180	0.000	1	110.2180	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2	C[6](C[6]C[6]ClF)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){2|Cl<1>,1|F<1>,2|C<4>}	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]ClF)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	109.7040	0.000	1	109.7040	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.8225	0.429	2	109.9851	0.257	40	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	109.9360	0.000	1	109.9851	0.257	40	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	109.5720	0.376	4	109.9851	0.257	40	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	110.1820	0.000	1	109.9851	0.257	40	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.4510	0.000	1	109.9851	0.257	40	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	110.5800	0.000	1	109.9851	0.257	40	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	110.1168	0.545	10	109.9851	0.257	40	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.1961	0.439	15	109.9851	0.257	40	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|F<1>,2|C<4>,2|H<1>}	109.1740	0.000	1	109.9851	0.257	40	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	109.5095	0.274	4	109.9851	0.257	40	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HI)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HI)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	109.2425	0.103	2	109.2425	0.011	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	109.1505	0.144	2	109.1505	0.021	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	109.1420	0.000	1	109.1420	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[5a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	109.4470	0.000	1	109.4470	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	108.0050	0.000	1	108.0050	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.0480	0.811	23	109.0852	0.519	109	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	110.0070	0.404	2	109.0852	0.519	109	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	109.0848	0.678	73	109.0852	0.519	109	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	109.2502	0.294	4	109.0852	0.519	109	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	108.8531	0.990	7	109.0852	0.519	109	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	109.6990	0.000	1	109.6990	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	108.8783	0.713	44	108.8783	0.508	44	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	111.0710	0.940	3	111.0710	0.884	3	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HN){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	109.6600	0.000	1	109.6600	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCeNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCeNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.5890	0.000	1	113.5890	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	110.0860	0.000	1	110.0860	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	109.8430	0.000	1	109.7475	0.018	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	109.6520	0.000	1	109.7475	0.018	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	109.4790	0.000	1	110.5172	0.389	17	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	110.3483	0.414	3	110.5172	0.389	17	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	110.6361	0.615	13	110.5172	0.389	17	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.6310	0.000	1	110.6310	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	109.9280	0.000	1	110.1523	0.493	3	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	109.5900	0.000	1	110.1523	0.493	3	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.9390	0.000	1	110.1523	0.493	3	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.2835	0.933	102	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	109.0762	0.500	6	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	109.9250	0.301	2	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<3>,2|H<1>}	109.7280	0.000	1	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<4>,2|H<1>}	109.2902	0.277	6	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	109.7487	0.439	3	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	109.6008	2.422	42	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	109.5170	0.000	1	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<5>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<5>,2|C<4>,2|H<1>}	108.9120	0.419	2	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<7>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<7>,2|C<4>,2|H<1>}	109.1070	0.000	1	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Bi<5>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Bi<5>,2|C<4>,2|H<1>}	108.6490	0.784	7	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|V<7>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|V<7>,3|H<1>}	109.7040	0.000	1	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	109.8180	1.024	2	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	109.5770	0.000	1	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	108.1800	0.000	1	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Sb<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Sb<4>,2|C<4>,2|H<1>}	109.0620	0.972	2	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Sb<5>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Sb<5>,2|C<4>,2|H<1>}	108.9060	0.498	5	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	109.3835	0.131	2	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	109.0273	0.291	3	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	109.5190	0.834	2	109.3271	1.835	192	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]O[6]CC)(N[6]C[6]C)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CC)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	108.7240	0.144	2	108.7240	0.021	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	112.0443	5.905	3	112.0443	34.864	3	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]P[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]P[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3){1|P<4>,4|H<1>}	C[6](C[6]P[6]HH)(N[6]C[6]C)(H)2{1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]P[6]HH)(N[6]C[6]C)(H)2{1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	112.1028	0.680	11	112.1028	0.462	11	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHHO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.6830	0.000	1	109.6830	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.6010	0.850	2	109.2029	0.373	7	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	109.0436	0.517	5	109.2029	0.373	7	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	108.8980	1.783	30	108.8980	3.179	30	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHHS){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	111.3220	0.000	1	111.3220	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CMoCC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CMoCC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.7820	0.000	1	110.7820	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.6520	0.000	1	110.6520	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.1578	0.747	9	110.3478	0.479	14	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	110.6898	0.464	5	110.3478	0.479	14	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	110.4081	0.477	12	110.4081	0.228	12	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	110.6810	0.000	1	110.6810	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.7901	1.422	7	109.8390	1.752	8	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	110.1810	0.000	1	109.8390	1.752	8	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	110.6105	1.080	2	110.6105	1.166	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	110.4190	0.311	2	110.4190	0.097	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[6]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	109.5105	0.297	4	109.7025	0.198	8	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[6]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]HH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	109.8945	0.525	4	109.7025	0.198	8	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[6a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6a]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	110.9310	0.000	1	110.9310	0.000	1	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CTiCC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CTiCC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.1320	0.134	2	110.1320	0.018	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CTiNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CTiNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.9060	0.058	2	113.9060	0.003	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CZrCC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CZrCC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.5570	0.444	2	110.5570	0.197	2	109.2640	1.692	972	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)	C[6](N[6]C[6]NiC)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN){1|Ni<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	112.4780	0.423	2	112.4780	0.179	2	112.4780	0.179	2	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){2|Cu<2>,3|C<4>}	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	109.4530	0.000	1	109.4530	0.000	1	109.3175	0.037	2	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CH3){2|Al<4>,3|C<4>}	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	109.1820	0.000	1	109.1820	0.000	1	109.3175	0.037	2	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(C[6]C[6]2H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(C[6]C[6]2H){3|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	111.6010	0.000	1	111.6010	0.000	1	111.6010	0.000	1	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)2{2|O<2>,3|C<4>,6|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{3|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{3|C<4>,3|H<1>}	105.2300	0.000	1	105.2300	0.000	1	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|O<2>,2|C<4>,3|H<1>}	108.7165	0.868	2	108.6352	0.274	4	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|O<2>,2|C<4>,3|H<1>}	108.5540	0.208	2	108.6352	0.274	4	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	111.7690	0.000	1	111.2965	0.447	2	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2{2|O<2>,3|C<3>,5|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	110.8240	0.000	1	111.2965	0.447	2	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]O[6]H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O[6]H)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	110.7840	0.000	1	110.7840	0.000	1	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2C)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2C)(C[6]C[6]HH)2{1|C<4>,1|N<2>,1|N<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,4|H<1>}	110.7490	0.000	1	110.7138	0.096	4	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2C)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2C)(C[6]C[6]HH)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,4|H<1>}	110.7020	0.379	3	110.7138	0.096	4	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,5|H<1>}	109.9690	0.000	1	109.5060	0.243	3	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{4|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,5|H<1>}	109.2745	0.407	2	109.5060	0.243	3	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{2|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2{1|N<3>,3|C<4>,4|H<1>}	109.2450	0.000	1	109.2450	0.000	1	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.6870	0.000	1	106.9420	1.110	2	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	106.1970	0.000	1	106.9420	1.110	2	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	108.3910	0.000	1	109.1295	0.146	6	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{3|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{3|C<4>,3|H<1>}	109.5230	0.000	1	109.1295	0.146	6	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	109.1970	0.000	1	109.1295	0.146	6	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|W<7>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{3|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{3|C<4>,3|H<1>}	109.2370	0.000	2	109.1295	0.146	6	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{2|C<3>,2|O<2>,6|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	109.1920	0.000	1	109.1295	0.146	6	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|O<2>,3|C<4>,4|H<1>}	109.1155	0.432	2	109.1155	0.187	2	109.2561	2.081	26	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NH3)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	109.1870	0.000	1	109.1870	0.000	1	110.2535	2.275	2	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(NRuHH)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NRuHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	111.3200	0.000	1	111.3200	0.000	1	110.2535	2.275	2	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PCHW)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PCHW){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	110.3550	0.197	2	110.3550	0.039	2	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PC[6]2Ru)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6]2Ru){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	111.9230	0.000	1	111.9230	0.000	1	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PC[6a]2C)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]2C){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	111.5420	0.442	3	111.5420	0.195	3	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PC[6a]2O)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]2O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{2|C<4>,3|H<1>}	110.8960	0.000	1	110.8960	0.000	1	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PC[6a]2O)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]2O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	111.5170	0.000	1	111.5170	0.000	1	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PC[6a]2Pd)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]2Pd){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	113.4170	0.000	1	113.4170	0.000	1	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PC[6a]2Ru)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]2Ru){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	110.2800	0.000	1	110.2800	0.000	1	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PC[6a]SS)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]SS){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	109.5540	0.000	1	109.5540	0.000	1	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PC[6a]Se2)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]Se2){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	110.1995	0.774	4	110.1995	0.599	4	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN3)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	114.2350	0.000	1	114.2350	0.000	1	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN3)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	108.6260	0.000	1	108.6260	0.000	1	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PNOO)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PNOO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	114.0520	0.000	1	114.0520	0.000	1	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN[6]MoC)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]MoC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	110.5810	0.000	1	110.5810	0.000	1	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN[6]MoC)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]MoC){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	109.6580	0.000	1	109.6580	0.000	1	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN[6]NN)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	111.8160	1.043	3	111.8160	1.087	3	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN[6]NN)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]NN){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	110.9860	0.438	4	110.9860	0.192	4	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN[6]NO)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]NO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{2|C<4>,3|H<1>}	113.0930	0.920	4	113.0930	0.846	4	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN[6]NO)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	111.5031	0.762	7	111.5031	0.581	7	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN[6]PdO)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]PdO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	111.6980	1.386	2	111.6980	1.921	2	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN[6]SS)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]SS){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	111.0230	1.940	2	111.0230	3.765	2	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PO3)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PO3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	112.7840	0.000	1	112.7840	0.000	1	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PO3)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PO3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	112.6530	0.000	1	112.6530	0.000	1	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(POOS)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(POOS){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	111.9680	0.000	1	111.9680	0.000	1	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PRuOO)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PRuOO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	111.1710	0.000	1	111.1710	0.000	1	111.4604	1.719	46	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(P[6]N[6]3)	C[6](C[6]C[5,6]HH)(N[6]C[6]P[6])(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]P[6])(H)2	N[6](C[6]C[6]HH)2(P[6]N[6]3){2|P<4>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]P[6])(H)2{1|C<4>,1|N<3>,2|H<1>,2|N<2>,2|O<2>}	C[6](C[6]C[5,6]HH)(N[6]C[6]P[6])(H)2{1|C<4>,1|N<3>,2|H<1>,2|N<2>,2|O<2>}	111.4235	1.073	2	111.4235	1.151	2	111.4235	1.151	2	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[3,6]C[3,6,6]C[3,6]C[5a])(N[6]C[6]S)(H)2	C[6](C[6]C[3,6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]C[5a])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	111.5075	0.889	2	111.5075	0.790	2	111.5075	0.790	2	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[3x6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[3x6]HH)2(SC[6a]OO)	C[6](C[3x6]C[4x6]C[6,6]H)(N[6]C[6]S)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[3x6]HH)2(SC[6a]OO){2|H<1>,3|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[4,6,6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(SC[6a]OO)	C[6](C[4,6,6]C[4,3x6]C[4,6,6]C)(N[6]C[6]S)(H)2	C[6](C[3x6]C[4,3x6]C[6,6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(SC[6a]OO){1|H<1>,4|C<4>}	C[6](C[4,6,6]C[4,3x6]C[4,6,6]C)(N[6]C[6]S)(H)2{3|C<4>,4|H<1>}	C[6](C[3x6]C[4,3x6]C[6,6]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	113.4920	0.000	1	113.4920	0.000	1	113.4920	0.000	1	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[6](C[6]C[4,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(N[6]C[6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	117.8570	0.000	1	117.8570	0.000	1	117.8570	0.000	1	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[4x6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[4x6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]C[6]S)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[4x6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6,6]HH)2(SC[6a]OO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,5,6,6]HH)2(SC[6a]OO){1|C<4>,2|C<3>,2|O<2>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	115.1220	0.000	1	116.6273	1.368	4	116.6273	1.368	4	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6,6]HH)2(SC[6a]OO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,5,6,6]HH)2(SC[6a]OO){1|C<4>,2|C<3>,2|O<2>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	117.1290	0.736	3	116.6273	1.368	4	116.6273	1.368	4	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	118.0530	0.000	1	118.0530	0.000	1	118.0530	0.000	1	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.8380	0.000	1	111.8380	0.000	1	112.2580	0.353	2	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]S)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	112.6780	0.000	1	112.6780	0.000	1	112.2580	0.353	2	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)2(SC[6a]OO)	C[6](C[5,6]O[5,6]C[5]H)(N[6]C[6]S)(H)2	C[6](C[5,6]O[5,6]O[5]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)2(SC[6a]OO){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	114.8710	0.000	1	114.8710	0.000	1	114.8710	0.000	1	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2	C[6](C[6]C[5,5,6]C[5a]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]C[5a]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>,3|C<3>}	110.2920	0.000	1	110.2920	0.000	1	112.5432	2.240	11	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2	C[6](C[6]C[5,5,6]C[6a]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]C[6a]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>,3|C<3>}	113.3180	2.147	2	113.3180	4.609	2	112.5432	2.240	11	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	113.2880	0.000	1	113.3045	1.608	4	112.5432	2.240	11	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|Si<4>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	111.7190	0.000	1	113.3045	1.608	4	112.5432	2.240	11	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	114.1055	1.013	2	113.3045	1.608	4	112.5432	2.240	11	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]S)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	111.1090	0.000	1	111.1090	0.000	1	112.5432	2.240	11	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]S)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	112.2550	1.431	2	112.2550	2.048	2	112.5432	2.240	11	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	112.2100	0.000	1	112.2100	0.000	1	112.5432	2.240	11	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(SCOO)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)2(SCOO){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,1|S<4>,4|H<1>}	116.9980	0.000	1	116.9980	0.000	1	114.2716	4.736	5	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	113.0550	0.000	1	113.0550	0.000	1	114.2716	4.736	5	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6a]O[6])(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)2(SC[6a]OO){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6a]O[6])(N[6]C[6]S)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2{1|Br<1>,2|C<4>,5|H<1>}	116.2520	0.000	1	116.2520	0.000	1	114.2716	4.736	5	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6a]Si[6])(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)2(SC[6a]OO){2|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6a]Si[6])(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	112.4370	0.000	1	112.4370	0.000	1	114.2716	4.736	5	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(SC[6a]OO)	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)2(SC[6a]OO){2|Si<4>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	112.6160	0.000	1	112.6160	0.000	1	114.2716	4.736	5	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	112.0970	0.000	1	112.0970	0.000	1	112.8967	0.859	7	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	114.1890	0.000	1	113.8530	0.226	2	112.8967	0.859	7	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	113.5170	0.000	1	113.8530	0.226	2	112.8967	0.859	7	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6]2O[6])(N[6]C[6]S)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6]2O[6])(N[6]C[6]S)(H)2{3|C<4>,6|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	112.6400	0.000	1	112.6400	0.000	1	112.8967	0.859	7	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6]2O[6])(N[6]C[6]S)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(N[6]C[6]S)(H)2{3|C<4>,6|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	111.4140	0.000	1	111.4140	0.000	1	112.8967	0.859	7	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2	C[6](C[6]C[6]BrH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]BrH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	113.2100	0.000	2	113.2100	0.000	2	112.8967	0.859	7	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[3,6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	C[6](C[6]C[3,6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	116.2850	0.000	1	116.2850	0.000	1	116.2850	0.000	1	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SCOO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SCOO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.4045	0.648	2	112.3964	0.960	5	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SCOO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SCOO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|S<4>,2|H<1>}	113.2005	0.134	2	112.3964	0.960	5	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SCOO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SCOO){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	112.7720	0.000	1	112.3964	0.960	5	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SCOO)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SCOO){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	112.5105	1.158	2	112.5105	1.340	2	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[5]OO)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[5]OO){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	112.1835	0.944	2	112.1835	0.891	2	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6]OO)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6]OO){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	112.6810	0.000	1	112.6810	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]NO)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]NO){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	111.6100	0.000	1	111.6100	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]B[5,6]CH)(N[6]C[6]S)(H)2	C[6](C[6]B[5,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|B<4>,2|C<4>,2|H<1>}	C[6](C[6]B[5,6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]B[5,6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|N<4>,1|O<2>,2|H<1>}	113.4770	0.000	1	113.4770	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|B<4>,2|C<4>,2|H<1>}	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	115.4530	0.000	1	115.4530	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	112.3090	0.113	2	112.3090	0.013	2	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[3]C[6]O)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[3]C[6]O)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	111.7720	0.000	1	111.7720	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[5,6]CC)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CC)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,2|O<2>}	111.6240	0.000	1	111.6240	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	112.7960	0.841	2	112.7960	0.708	2	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	113.0025	0.776	2	113.0025	0.602	2	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	112.0010	0.000	1	112.0010	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	111.6930	0.000	1	111.6930	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	112.5867	0.406	3	112.6980	0.287	7	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	111.8970	0.000	1	112.6980	0.287	7	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	112.8580	0.034	2	112.6980	0.287	7	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	113.5130	0.000	1	112.6980	0.287	7	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	112.3640	0.000	1	112.3640	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	111.8730	0.000	1	111.8730	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]ClH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	112.5890	0.000	1	112.5890	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	112.6083	0.499	3	113.2451	0.461	10	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	113.3980	0.000	1	113.2451	0.461	10	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	113.5380	0.615	6	113.2451	0.461	10	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	112.9000	0.000	1	112.9000	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	111.8430	0.011	2	111.8430	0.000	2	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	117.0690	0.000	1	117.0690	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.6940	0.719	3	111.6945	0.298	13	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	111.5210	0.396	8	111.6945	0.298	13	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	112.0390	0.000	1	111.6945	0.298	13	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|Rh<5>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|Rh<5>,1|C<4>,3|H<1>}	112.7390	0.000	1	111.6945	0.298	13	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]O[6]CC)(N[6]C[6]S)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CC)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	112.8070	0.000	1	112.8070	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]O[6]CO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]CO)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	113.1740	0.000	1	113.1740	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	111.7990	0.529	2	111.7990	0.280	2	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	111.7827	0.381	3	111.7827	0.145	3	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]S[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	114.6920	0.000	1	114.6920	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SNOO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SNOO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	113.3470	0.000	1	113.3470	0.000	1	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(SNOO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SNOO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.4800	0.293	2	110.4800	0.086	2	112.4742	1.207	71	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	P-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](PC[5]N[6]Pt)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](PC[5]N[6]Pt)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	110.1545	0.248	2	110.1545	0.062	2	111.0472	0.936	5	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	P-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](PC[6]N[6]Ru)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](PC[6]N[6]Ru)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	111.9860	0.564	2	111.9860	0.318	2	111.0472	0.936	5	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	P-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	110.9550	0.000	1	110.9550	0.000	1	111.0472	0.936	5	109.7883	3.143	1273	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-2:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H){1|C<4>,2|H<1>,2|O<2>}	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(N[6]C[6]C)(H)2	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,5|C<3>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	112.9581	8.642	10	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CNO)(H){2|C<4>,3|H<1>}	110.5865	0.661	2	110.5865	0.437	2	110.5865	0.437	2	112.9581	8.642	10	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	112.9581	8.642	10	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H){1|C<3>,2|C<4>,2|H<1>}	112.8780	0.000	1	112.8780	0.000	1	112.8780	0.000	1	112.9581	8.642	10	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CNO)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CNO)(H){1|C<3>,1|C<4>,2|H<1>}	119.7150	0.000	1	119.7150	0.000	1	119.7150	0.000	1	112.9581	8.642	10	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H){1|C<4>,2|H<1>}	113.9860	0.000	1	113.9860	0.000	1	113.1250	3.414	4	112.9581	8.642	10	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H){1|C<4>,2|H<1>}	111.5990	0.206	2	111.5990	0.043	2	113.1250	3.414	4	112.9581	8.642	10	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(COO)(H){1|C<4>,2|H<1>}	115.3160	0.000	1	115.3160	0.000	1	113.1250	3.414	4	112.9581	8.642	10	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:3:2:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:C-2:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN){1|N<3>,2|C<4>,2|H<1>}	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:	P[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3)	C[6](P[6]C[5,6]C[6a]2)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3){1|Fe<10>,2|C<3>,2|C<4>}	C[6](P[6]C[5,6]C[6a]2)(N[6]C[6]C)(H)2{1|Fe<10>,1|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H){1|P<4>,2|C<4>,3|H<1>}	112.0300	0.000	1	112.0300	0.000	1	112.0300	0.000	1	113.6010	2.142	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]O[6]C)(N[6]C[6]S)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	113.8470	0.000	1	113.8470	0.000	1	114.3865	0.582	2	113.6010	2.142	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,2|H<1>}	114.9260	0.000	1	114.9260	0.000	1	114.3865	0.582	2	113.6010	2.142	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:C-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	107.1730	0.000	1	107.1730	0.000	1	110.2320	18.715	2	112.1647	20.563	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:C-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	113.2910	0.000	1	113.2910	0.000	1	110.2320	18.715	2	112.1647	20.563	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	116.0300	0.000	1	116.0300	0.000	1	116.0300	0.000	1	112.1647	20.563	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[3,6]-4:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6]C)(CNO)(H)	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	114.2280	0.000	1	114.2280	0.000	1	114.2280	0.000	1	114.2280	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.3140	0.000	1	112.3140	0.000	1	111.3322	0.502	5	113.4144	13.025	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	111.2595	0.726	2	111.2595	0.527	2	111.3322	0.502	5	113.4144	13.025	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	110.9140	0.393	2	110.9140	0.155	2	111.3322	0.502	5	113.4144	13.025	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|C<3>,7|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	118.9860	0.000	1	118.9860	0.000	1	118.9860	0.000	1	113.4144	13.025	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	118.2540	0.000	1	118.2540	0.000	1	118.2540	0.000	1	113.4144	13.025	7	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CCHH){2|C<4>,2|N<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	112.6180	0.000	1	112.6180	0.000	1	114.7764	5.976	17	114.5377	6.193	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,7|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	115.4683	2.058	3	115.4683	4.234	3	114.7764	5.976	17	114.5377	6.193	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	111.3610	0.000	1	115.2400	6.601	11	114.7764	5.976	17	114.5377	6.193	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	117.1430	0.000	1	115.2400	6.601	11	114.7764	5.976	17	114.5377	6.193	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	116.4148	2.596	5	115.2400	6.601	11	114.7764	5.976	17	114.5377	6.193	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	112.5010	0.000	1	115.2400	6.601	11	114.7764	5.976	17	114.5377	6.193	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|N<2>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	114.8537	1.662	3	115.2400	6.601	11	114.7764	5.976	17	114.5377	6.193	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	112.4930	0.000	1	112.2680	0.101	2	114.7764	5.976	17	114.5377	6.193	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	112.0430	0.000	1	112.2680	0.101	2	114.7764	5.976	17	114.5377	6.193	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	114.3320	0.000	1	114.3320	0.000	1	112.5085	6.650	2	114.5377	6.193	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]CH)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H)	N[6](C[6]C[6]CH)2(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	110.6850	0.000	1	110.6850	0.000	1	112.5085	6.650	2	114.5377	6.193	19	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	3:2:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O[6]-2:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]O[6]HH)(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](N[6]C[6]S)(O[6]C[6])(H)2	N[6](C[6]C[6]CH)(C[6]O[6]HH)(SC[6a]OO){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H){1|O<2>,4|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	117.7410	0.000	1	117.7410	0.000	1	117.7410	0.000	1	117.7410	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	113.5120	0.000	1	113.5120	0.000	1	113.5120	0.000	1	112.3220	10.754	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:Si-4:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(SiC3)(H)	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){1|Al<4>,3|C<4>}	C[6](N[6]C[6]AlC)(N[6]C[6]C)(SiC3)(H){1|N<3>,4|H<1>}	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<4>,3|H<1>}	110.4830	0.000	1	110.4830	0.000	1	110.4830	0.000	1	112.3220	10.754	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]2)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]2)(CH3)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	112.7370	0.000	1	112.7370	0.000	1	112.7370	0.000	1	112.3220	10.754	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]2)(CH3)(H)	C[6](N[6]C[6]2)2(H)2	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(CH3)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6]2)2(H)2{5|H<1>,6|C<4>}	108.0790	0.000	1	108.0790	0.000	1	108.0790	0.000	1	112.3220	10.754	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCFH)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCFH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	116.7990	0.000	1	116.7990	0.000	1	116.7990	0.000	1	112.3220	10.754	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)2(CC[6a]HH){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1	115.2593	17.569	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(SC[6a]OO)	C[6](C[6]C[6]HS)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6]CH)2(SC[6a]OO){1|C<3>,1|S<3>,2|H<1>}	C[6](C[6]C[6]HS)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H){2|C<4>,2|H<1>}	117.6555	0.829	2	117.6555	0.688	2	117.6555	0.688	2	115.2593	17.569	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[3x6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	111.9810	0.117	2	111.9810	0.014	2	111.9810	0.014	2	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H){1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	109.5000	0.000	1	109.5000	0.000	1	110.4045	1.636	2	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	111.3090	0.000	1	111.3090	0.000	1	110.4045	1.636	2	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<4>,2|C<4>,5|H<1>}	116.0175	1.076	2	116.0175	1.157	2	116.0175	1.157	2	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	114.1450	0.711	2	114.1450	0.506	2	114.1450	0.506	2	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	111.3600	0.000	1	111.3600	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CFeCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CFeCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	110.8370	0.000	1	110.8370	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	110.5850	0.000	1	110.5850	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]C)(CH3)(H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>}	111.1370	0.000	1	111.1370	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	113.4590	0.000	1	113.4590	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	112.1100	0.000	1	112.1100	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	110.2300	0.000	1	110.2300	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	109.8770	0.000	1	109.8770	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	110.9340	0.000	1	110.9340	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	111.1350	0.000	1	111.1350	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	109.0150	0.000	1	109.0150	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	110.5430	0.000	1	110.5430	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	110.0630	0.000	1	110.0630	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	111.6730	0.000	1	111.6730	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	110.7475	0.617	2	110.7475	0.381	2	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	109.1880	0.000	1	109.8040	0.759	2	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	110.4200	0.000	1	109.8040	0.759	2	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	113.3790	0.000	1	113.3790	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	109.1090	0.000	1	109.1090	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	112.7900	0.421	4	112.7900	0.177	4	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	109.9640	0.000	1	109.9640	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	115.2380	0.000	1	115.2380	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H){1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>}	108.7350	0.000	1	108.7350	0.000	1	111.1721	2.502	27	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	115.2360	0.000	1	115.2360	0.000	1	115.2360	0.000	1	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	117.3480	0.000	1	117.3480	0.000	1	117.3480	0.000	1	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2{4|C<4>,7|H<1>}	115.3930	0.000	1	115.3930	0.000	1	115.3930	0.000	1	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	115.7460	0.000	1	115.7460	0.000	1	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]CC)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	116.7410	0.363	2	116.7410	0.132	2	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(CCHH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	115.8780	0.000	1	115.8780	0.000	1	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	115.4140	0.000	1	115.4140	0.000	1	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	117.4000	0.000	1	117.4000	0.000	1	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|I<1>,2|C<4>,2|H<1>}	114.8820	0.000	1	115.4515	0.649	2	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	116.0210	0.000	1	115.4515	0.649	2	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	116.5490	0.000	1	116.5490	0.000	1	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	116.3990	0.000	1	116.3990	0.000	1	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	115.6640	0.675	2	115.6640	0.455	2	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	116.5050	0.000	1	116.5050	0.000	1	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	115.1570	0.000	1	115.1570	0.000	1	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	118.2080	0.000	1	118.2080	0.000	1	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	115.5300	0.000	1	116.1275	0.714	2	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	116.7250	0.000	1	116.1275	0.714	2	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(CCCH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<4>}	114.7430	0.000	1	114.7430	0.000	1	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	115.4990	0.000	1	115.3140	0.068	2	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	115.1290	0.000	1	115.3140	0.068	2	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|H<1>,2|C<4>}	114.6560	0.000	1	114.6560	0.000	1	115.9643	0.848	21	113.3893	7.192	59	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:2:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|S<2>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,2|C<4>,2|S<2>}	118.5340	0.000	1	118.5340	0.000	1	118.8585	0.211	2	118.8585	0.211	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:2:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H){2|C<4>,3|H<1>}	119.1830	0.000	1	119.1830	0.000	1	118.8585	0.211	2	118.8585	0.211	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:3:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:N-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H){2|C<4>,3|H<1>}	119.9310	0.000	1	119.9310	0.000	1	119.9310	0.000	1	119.9310	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(CC3)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H)	N[6](C[6]C[6]CH)2(CC3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H){1|H<1>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H){1|H<1>,2|C<4>}	117.3715	0.339	2	117.3715	0.115	2	117.8930	0.441	4	118.4656	1.970	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(CFeNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(CFeNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	118.4145	0.347	2	118.4145	0.121	2	117.8930	0.441	4	118.4656	1.970	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	N[6](C[6]C[6]CH)2(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){2|C<4>,3|H<1>}	120.7560	0.000	1	120.7560	0.000	1	120.7560	0.000	1	118.4656	1.970	5	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:2:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-2:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>,2|O<2>}	112.5630	0.000	1	112.5630	0.000	1	113.0157	0.942	3	113.0157	0.942	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:2:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-2:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>}	114.1300	0.000	1	113.2420	1.577	2	113.0157	0.942	3	113.0157	0.942	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:2:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-2:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>,2|H<1>}	112.3540	0.000	1	113.2420	1.577	2	113.0157	0.942	3	113.0157	0.942	3	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:4:	2:3:3:1:	C[6]-4:C[6]-4:S-4:	C[6,6]-4:N[6]-3:C-4:C-4:	O[6]-2:N[6]-3:C-3:H-1:	N[6](C[6]C[6,6]CC)(C[6]O[6]CH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CH3)2	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6,6]CC)(C[6]O[6]CH)(SC[6a]OO){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H){1|H<1>,4|C<4>}	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:4:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHHN)2	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHHN)2{1|C<3>,2|H<1>}	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2{3|C<4>}	118.2525	0.291	2	118.2525	0.084	2	118.2525	0.084	2	118.2525	0.084	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	N[6](C[6]C[6]CC)2(CCCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	117.5400	0.332	2	117.5400	0.110	2	118.2797	1.162	10	118.2797	1.162	10	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	N[6](C[6]C[6]CC)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	117.5533	0.802	4	117.5533	0.644	4	118.2797	1.162	10	118.2797	1.162	10	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6](C[6]C[6]CC)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	N[6](C[6]C[6]CC)2(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	119.3760	0.368	4	119.3760	0.135	4	118.2797	1.162	10	118.2797	1.162	10	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	116.2760	0.000	1	116.2760	0.000	1	116.2760	0.000	1	116.2760	0.000	1	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	Si[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]Si[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]Si[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|I<1>,2|N<3>,4|H<1>}	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Si<4>,1|C<4>,3|H<1>}	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	113.7470	15.747	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]2H)(SC[6a]OO){4|C<4>,4|H<1>}	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	116.5530	0.000	1	116.5530	0.000	1	116.5530	0.000	1	113.7470	15.747	2	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:5:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-5:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN[6]2NU)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]2NU){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	111.1315	0.445	4	111.1315	0.198	4	110.9013	0.261	6	110.9013	0.261	6	111.3639	8.950	3304	110.3340	6.740	7894
856	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:5:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-5:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(PN[6]CeNO)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]CeNO){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	110.4410	0.272	2	110.4410	0.074	2	110.9013	0.261	6	110.9013	0.261	6	111.3639	8.950	3304	110.3340	6.740	7894