474	542	952	0:SP3_SP2_SP3	C[5]	N[5]	S	4:3:4:1:	4:3:4:	3:4:1:1:	C[5]-4:N[5]-3:S-4:H-1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[5]HO)(N[5]C[5]C)(SC[6a]OO)(H)	N[5](C[5]C[5]HS)(C[5]C[5]O)(CC[6a]HH)	S(C[6a]C[6a]N[6a])(C[5]C[5]N[5]H)(O)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(SC[6a]OO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]HS)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	S(C[6a]C[6a]N[6a])(C[5]C[5]N[5]H)(O)2	106.9340	0.000	1	106.9340	0.000	1	106.9340	0.000	1	106.9340	0.000	1	106.9340	0.000	1	106.9340	0.000	1
474	542	952	0:SP3_SP3_SP3	C[5]	N[5]	S	4:3:4:1:	4:4:3:	4:3:1:1:	C[5]-4:N[5]-3:S-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[6a]-3:O-1:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HS)(COO)	S(C[5]C[5]N[5]H)(C[6a]C[6a]2)(O)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HS)(COO){4|H<1>}	S(C[5]C[5]N[5]H)(C[6a]C[6a]2)(O)2	112.4040	0.000	1	112.4040	0.000	1	109.9240	4.613	3	109.9240	4.613	3	109.9240	4.613	3	109.9240	4.613	3
474	542	952	0:SP3_SP3_SP3	C[5]	N[5]	S	4:3:4:1:	4:4:3:	4:3:1:1:	C[5]-4:N[5]-3:S-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[6a]-3:O-1:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]O)	S(C[5]C[5]N[5]H)(C[6a]C[6a]2)(O)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]O){2|C<4>,2|H<1>}	S(C[5]C[5]N[5]H)(C[6a]C[6a]2)(O)2	108.6840	0.028	2	108.6840	0.001	2	109.9240	4.613	3	109.9240	4.613	3	109.9240	4.613	3	109.9240	4.613	3
474	542	955	0:SP3_SP3_SP3	C[5,5]	N[5]	P[5]	4:3:3:1:	4:3:4:	3:4:4:4:	P[5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[3x6]-4:C[3x6]-4:	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H)	N[5](C[5,5]N[5,5]P[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	P[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[3x6]C[6,6]3)2	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H){4|C<3>,4|H<1>,6|C<4>}	N[5](C[5,5]N[5,5]P[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[3x6]C[6,6]3)2{13|H<1>,3|C<3>,8|C<4>}	115.8390	0.000	1	115.8390	0.000	1	115.8390	0.000	1	115.8390	0.000	1	115.8390	0.000	1	115.8390	0.000	1
474	542	955	5:SP3_SP2_SP3	C[5,5]	N[5]	P[5,5]	4:4:3:3:	4:3:1:	4:3:2:1:	C[5,5]-4:P[5,5]-4:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:O[5]-2:O-1:	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	P[5,5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O)	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H){1|O<1>,2|H<1>,9|C<3>}	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|P<4>,5|C<3>}	P[5,5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	96.5669	0.000	1	96.5669	0.000	1	96.5669	0.000	1	96.5669	0.000	1	96.5669	0.000	1	100.5913	12.626	3
474	542	955	5:SP3_SP2_SP3	C[5]	N[5]	P[5]	4:3:2:1:	3:3:4:	3:4:4:4:	P[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5](P[5]C[5,6a]C[6]2)(N[5]C[5,6a]C[6a])(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HO)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[6]C[6]2H)2	C[5](P[5]C[5,6a]C[6]2)(N[5]C[5,6a]C[6a])(OC)(H){2|H<1>,4|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HO){2|C<4>,3|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[6]C[6]2H)2{3|C<3>,4|C<4>,9|H<1>}	101.9110	0.000	1	101.9110	0.000	1	101.9110	0.000	1	101.9110	0.000	1	102.6035	0.959	2	100.5913	12.626	3
474	542	955	5:SP3_SP2_SP3	C[5]	N[5]	P[5]	4:3:2:1:	3:4:4:	3:4:4:4:	P[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5](P[5]C[5,6a]C[3x6]2)(N[5]C[5,6a]C)(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH)	P[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)2(C[5]N[5]HO)	C[5](P[5]C[5,6a]C[3x6]2)(N[5]C[5,6a]C)(OC)(H){2|C<3>,6|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH){1|H<1>,2|C<3>,2|C<4>}	P[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)2(C[5]N[5]HO){13|H<1>,2|C<3>,7|C<4>}	103.2960	0.000	1	103.2960	0.000	1	103.2960	0.000	1	103.2960	0.000	1	102.6035	0.959	2	100.5913	12.626	3
474	542	955	5:SP3_SP3_SP3	C[5,5]	N[5,5]	P[5]	4:3:3:1:	3:4:4:	3:4:4:4:	P[5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[3x6]-4:C[3x6]-4:	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH)	P[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[3x6]C[6,6]3)2	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H){4|C<3>,4|H<1>,6|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[3x6]C[6,6]3)2{13|H<1>,3|C<3>,8|C<4>}	103.7400	0.000	1	103.7400	0.000	1	103.7400	0.000	1	103.7400	0.000	1	103.7400	0.000	1	99.9931	28.078	2
474	542	955	5:SP3_SP3_SP3	C[5,5]	N[5]	P[5,5]	4:4:3:3:	4:3:1:	4:3:2:1:	C[5,5]-4:P[5,5]-4:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:O[5]-2:O-1:	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	P[5,5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O)	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H){1|O<1>,2|H<1>,9|C<3>}	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|P<4>,5|C<3>}	P[5,5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	96.2463	0.000	1	96.2463	0.000	1	96.2463	0.000	1	96.2463	0.000	1	96.2463	0.000	1	99.9931	28.078	2
474	542	956	0:SP3_SP2_SP2	C[5,5]	N[5]	N	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:N[5]-3:N-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(NC[6a]H)	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	N(C[5,5]C[5,6a]C[5,5]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(NC[6a]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	N(C[5,5]C[5,6a]C[5,5]N[5])(C[6a]C[6a]2)(H)	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5,5]	N	3:4:3:1:	3:4:4:	4:3:1:	N[5,5]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:C-3:H-1:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(NCH)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN)	N(C[5]N[5,5]C[5]H)(CCO)(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(NCH)(H){1|H<1>,1|N<3>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN){1|Cl<1>,2|H<1>,2|N<2>,3|C<3>}	N(C[5]N[5,5]C[5]H)(CCO)(H)	111.4990	0.000	1	111.4990	0.000	1	111.4990	0.000	1	111.4990	0.000	1	111.4990	0.000	1	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	3:3:3:1:	3:4:4:	4:3:1:	C[5,6a]-3:N[5]-3:N-3:H-1:	B[5]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC3)	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,3|C<3>}	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC3){4|C<3>}	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	109.6770	0.000	1	109.6770	0.000	1	109.6770	0.000	1	109.6770	0.000	1	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	3:3:3:1:	4:3:3:	4:3:1:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:B[5]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NC[6a]H)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2)	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NC[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2){2|C<4>,4|C<3>}	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	108.9420	0.000	1	108.9420	0.000	1	108.9420	0.000	1	108.9420	0.000	1	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	3:3:3:1:	4:3:3:	4:3:3:	C[5,5a]-3:N[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[6a]-3:C-3:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(NC[6a]C)(H)	N[5](C[5]C[5,5a]HN)(C[5]N[5,5a]O)(C[6a]C[6a]2)	N(C[5]C[5,5a]N[5]H)(C[6a]C[6a]2)(CNO)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(NC[6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5a]HN)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N(C[5]C[5,5a]N[5]H)(C[6a]C[6a]2)(CNO)	113.5070	0.000	1	113.5070	0.000	1	113.5070	0.000	1	113.5070	0.000	1	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	3:3:3:1:	4:3:4:	4:3:1:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:B[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3)	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3){2|C<3>}	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	108.6200	0.000	1	108.6200	0.000	1	108.6200	0.000	1	108.6200	0.000	1	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	3:3:3:1:	4:4:4:	4:3:1:	N[5]-3:N[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C-3:H-1:	C[5](N[5]C[5]C)2(NCH)(H)	N[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3)	N(C[5]N[5]2H)(CNN)(H)	C[5](N[5]C[5]C)2(NCH)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3){1|C<4>,2|H<1>}	N(C[5]N[5]2H)(CNN)(H)	125.1665	3.805	2	125.1665	14.478	2	125.1665	14.478	2	125.1665	14.478	2	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	3:3:3:3:	3:3:4:	4:3:3:	N[5]-3:C[5]-3:C-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:N-3:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)(NCN)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CN)	N(C[5]C[5]N[5]C)(COO)(NCH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)(NCN){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CN){1|O<1>,3|H<1>,4|C<3>}	N(C[5]C[5]N[5]C)(COO)(NCH)	115.8160	0.000	1	115.8160	0.000	1	115.8160	0.000	1	115.8160	0.000	1	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	3:3:3:3:	3:4:3:	4:3:1:	C[5]-3:N[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO)	N(C[5]C[6a]C[5]N[5])(CCO)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO){1|H<1>,1|O<1>,4|C<3>}	N(C[5]C[6a]C[5]N[5])(CCO)(H)	111.9360	0.000	1	111.9360	0.000	1	111.9360	0.000	1	111.9360	0.000	1	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	3:3:3:3:	3:4:3:	4:3:3:	C[5]-3:N[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C-3:N-3:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO)	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCN){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO){1|H<1>,1|O<1>,4|C<3>}	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	3:3:4:3:	4:3:1:	4:4:1:	C[5]-3:N[5]-3:C-4:N-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH)	N[5](C[5]C[5]CN)(C[5]N[5]S)(H)	N(C[5]C[5]N[5]C)(CCHH)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH){1|C<4>,1|S<1>}	N[5](C[5]C[5]CN)(C[5]N[5]S)(H){1|C<4>,1|O<1>}	N(C[5]C[5]N[5]C)(CCHH)(H)	114.1160	0.000	1	114.1160	0.000	1	114.1160	0.000	1	114.1160	0.000	1	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	3:3:4:3:	4:3:2:	4:3:1:	C[5,6a]-3:N[5]-3:C-4:N-3:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]2H)(NC[6a]H)	N[5](C[5]C[5,6a]CN)(C[5]C[5,6a]O)(OC)	N(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]2H)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CN)(C[5]C[5,6a]O)(OC){2|C<3>}	N(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)	115.0330	0.000	1	115.0330	0.000	1	115.0330	0.000	1	115.0330	0.000	1	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	3:4:3:1:	4:3:4:	4:3:1:	N[5]-3:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]H)(H)	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)	N(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN){3|C<3>,3|N<3>,4|H<1>}	N(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)	110.1620	2.752	2	110.1620	7.574	2	110.1620	7.574	2	110.1620	7.574	2	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	3:4:3:1:	4:3:4:	4:4:3:	N[5]-3:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]C[5])(H)	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)	N(C[5]C[5]N[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]C[5])(H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN){3|C<3>,3|N<3>,4|H<1>}	N(C[5]C[5]N[5]H)2(C[6a]C[6a]2)	111.2875	1.672	2	111.2875	2.797	2	111.2875	2.797	2	111.2875	2.797	2	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	3:4:3:3:	4:2:3:	4:3:1:	C[6a]-3:C[5]-4:N[5]-3:N-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(NCH)	N[5](C[5]C[6a]C[5]N)(N[5]C[5])(COO)	N(C[5]C[6a]C[5]N[5])(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(NCH){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]N)(N[5]C[5])(COO){2|H<1>,3|C<3>}	N(C[5]C[6a]C[5]N[5])(COO)(H)	111.6175	0.530	2	111.6175	0.281	2	111.6175	0.281	2	111.6175	0.281	2	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:3:1:	3:4:4:	4:3:1:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:C-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(NCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3)	N(C[5]C[5,6]N[5]H)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(NCH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3){1|C<4>,1|H<1>,3|C<3>}	N(C[5]C[5,6]N[5]H)(COO)(H)	111.0320	0.238	2	111.0320	0.056	2	111.0320	0.056	2	111.0320	0.056	2	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:3:1:	4:3:4:	3:4:1:	C[5]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(H)	N[5](C[5]C[5]HN)(C[5]C[5]O)(CH3)	N(C[6a]C[6a]N[6a])(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]HN)(C[5]C[5]O)(CH3){4|H<1>}	N(C[6a]C[6a]N[6a])(C[5]C[5]N[5]H)(H)	110.6440	0.000	1	110.6440	0.000	1	110.6440	0.000	1	110.6440	0.000	1	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:3:1:	4:4:3:	4:3:1:	C[5]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CCO)	N(C[5]C[5]N[5]H)(CCO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CCO){4|H<1>}	N(C[5]C[5]N[5]H)(CCO)(H)	110.7490	0.000	1	110.7490	0.000	1	110.0980	0.848	2	110.0980	0.848	2	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:3:1:	4:4:3:	4:3:1:	C[5]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[5]O)	N(C[5]C[5]N[5]H)(CCO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[5]O){4|H<1>}	N(C[5]C[5]N[5]H)(CCO)(H)	109.4470	0.000	1	109.4470	0.000	1	110.0980	0.848	2	110.0980	0.848	2	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:3:1:	4:4:3:	4:3:3:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:C[6a]-3:N-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(NC[6a]N)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2)	N(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(NC[6a]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(NC[6a]N)(H){2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	N(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(NC[6a]C)	110.4110	0.000	1	110.4110	0.000	1	110.4110	0.000	1	110.4110	0.000	1	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:3:2:	4:3:4:	4:3:1:	C[5]-4:N[5]-3:N-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(NC)	N[5](C[5]C[5]NN)(C[5]C[5]O)(CC[6a]HH)	N(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(NC){1|O<1>,2|H<1>}	N[5](C[5]C[5]NN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	N(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:4:3:	4:2:3:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N-3:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(NHN)	N[5](C[5]C[5]CN)(N[5]C[5])(CNN)	N(C[5]C[5]N[5]C)(NCH)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(NHN){1|C<4>}	N[5](C[5]C[5]CN)(N[5]C[5])(CNN){1|C<4>,2|H<1>}	N(C[5]C[5]N[5]C)(NCH)(H)	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:4:3:	4:3:4:	4:1:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NHH)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	N(C[5]C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NHH){1|O<1>,2|H<1>}	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	N(C[5]C[5]N[5]C)(H)2	111.0450	0.000	1	111.0450	0.000	1	111.0450	0.000	1	111.0450	0.000	1	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:4:3:	4:3:4:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(NCH)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	N(C[5]C[5]N[5]C)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(NCH){1|O<1>,2|H<1>}	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	N(C[5]C[5]N[5]C)(COO)(H)	111.3080	0.000	1	111.3080	0.000	1	111.0997	0.913	16	111.0997	0.913	16	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:4:3:	4:3:4:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NCH)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	N(C[5]C[5]N[5]C)(CCO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NCH){1|O<1>,2|H<1>}	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	N(C[5]C[5]N[5]C)(CCO)(H)	110.3370	0.000	1	110.3370	0.000	1	111.0997	0.913	16	111.0997	0.913	16	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:4:3:	4:3:4:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NCH)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	N(C[5]C[5]N[5]C)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NCH){1|O<1>,2|H<1>}	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	N(C[5]C[5]N[5]C)(COO)(H)	111.5410	0.000	1	111.5410	0.000	1	111.0997	0.913	16	111.0997	0.913	16	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:4:3:	4:3:4:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCCH)	N(C[5]C[5]N[5]C)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH){1|O<1>,2|H<1>}	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCCH){4|H<1>}	N(C[5]C[5]N[5]C)(COO)(H)	109.8375	0.151	2	109.8375	0.023	2	111.0997	0.913	16	111.0997	0.913	16	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:4:3:	4:3:4:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)	N(C[5]C[5]N[5]C)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH){1|O<1>,2|H<1>}	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH){4|H<1>}	N(C[5]C[5]N[5]C)(COO)(H)	111.1273	0.502	4	111.1273	0.252	4	111.0997	0.913	16	111.0997	0.913	16	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:4:3:	4:3:4:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	N(C[5]C[5]N[5]C)(CCO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH){1|O<1>,2|H<1>}	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	N(C[5]C[5]N[5]C)(CCO)(H)	110.2230	0.000	1	110.2230	0.000	1	111.0997	0.913	16	111.0997	0.913	16	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:4:3:	4:3:4:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	N(C[5]C[5]N[5]C)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH){1|O<1>,2|H<1>}	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	N(C[5]C[5]N[5]C)(COO)(H)	111.2265	0.052	2	111.2265	0.003	2	111.0997	0.913	16	111.0997	0.913	16	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:4:3:	4:3:4:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(NCH)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	N(C[5]C[5]N[5]C)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(NCH){1|O<1>,2|H<1>}	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	N(C[5]C[5]N[5]C)(COO)(H)	110.8960	1.247	2	110.8960	1.556	2	111.0997	0.913	16	111.0997	0.913	16	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:4:3:	4:3:4:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(NCH)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	N(C[5]C[5]N[5]C)(CCO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(NCH){1|H<1>,1|O<1>,1|O<2>}	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){2|H<1>,2|O<2>}	N(C[5]C[5]N[5]C)(CCO)(H)	112.8785	0.371	2	112.8785	0.138	2	111.0997	0.913	16	111.0997	0.913	16	111.8918	12.219	42	111.8815	11.654	44
474	542	956	0:SP3_SP2_SP3	C[5,5]	N[5]	N	3:4:3:3:	4:3:1:	4:1:1:	C[5,6a]-3:C[5,5]-4:N[5]-3:N-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:H-1:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHH)	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H)	N(C[5,5]C[5,6a]C[5,5]N[5])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHH){1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N(C[5,5]C[5,6a]C[5,5]N[5])(H)2	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	109.2419	0.971	7	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5,5]	N[5]	N	4:3:3:3:	4:3:1:	4:1:1:	C[5,5]-4:N[5]-3:N[5]-3:N-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:H-1:H-1:	C[5,5](C[5,5]N[5]2N)(N[5]C[5]H)2(NHH)	N[5](C[5,5]C[5,5]N[5]N)(C[5]N[5]O)(H)	N(C[5,5]C[5,5]N[5]2)(H)2	C[5,5](C[5,5]N[5]2N)(N[5]C[5]H)2(NHH){2|H<1>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]N)(C[5]N[5]O)(H){1|C<3>,2|H<1>,2|N<3>}	N(C[5,5]C[5,5]N[5]2)(H)2	109.9383	0.538	4	109.9383	0.289	4	109.9383	0.289	4	109.9383	0.289	4	109.2419	0.971	7	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5,5]	N[5]	N	4:3:3:3:	4:3:3:	4:1:1:	C[3x5]-4:C[5,6a]-3:N[5]-3:N-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:H-1:H-1:	C[5,5](C[3x5]C[3x5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NHH)	N[5](C[5,5]C[5,6a]C[3x5]N)(C[5]C[3x5]O)(C[6a]C[6a]2)	N(C[5,5]C[5,6a]C[3x5]N[5])(H)2	C[5,5](C[3x5]C[3x5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NHH){1|N<2>,1|N<3>,1|S<2>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[3x5]N)(C[5]C[3x5]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|S<2>,5|C<3>}	N(C[5,5]C[5,6a]C[3x5]N[5])(H)2	108.5785	0.095	2	108.5785	0.009	2	108.5785	0.009	2	108.5785	0.009	2	109.2419	0.971	7	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5,6]	N[5,6]	N	3:4:4:3:	4:3:4:	4:4:1:	N[5,6]-3:C[6]-4:C[5]-4:N-3:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:S-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HN)(C[5]C[5]HH)(NHS)	N[5,6](C[5,6]C[5]C[6]N)(C[6]C[5a,6]O)(C[5]C[5]HH)	N(C[5,6]N[5,6]C[5]C[6])(SC[6a]OO)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HN)(C[5]C[5]HH)(NHS){1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]N)(C[6]C[5a,6]O)(C[5]C[5]HH){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	N(C[5,6]N[5,6]C[5]C[6])(SC[6a]OO)(H)	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5,6]	N[5]	N	4:3:4:3:	3:4:4:	4:1:1:	C[5,6]-4:N[5]-3:C[6]-4:N-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(NHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N)(SC[6a]OO)	N(C[5,6]C[5,6]C[6]N[5])(H)2	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(NHH){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N)(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N(C[5,6]C[5,6]C[6]N[5])(H)2	116.7090	0.000	1	116.7090	0.000	1	116.7090	0.000	1	116.7090	0.000	1	116.7090	0.000	1	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5]	N[5]	N	3:3:3:1:	3:4:3:	4:4:1:	N[5]-3:C[5]-3:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:S-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]O[5]C)(NHS)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]O)	N(C[5]C[5]N[5]H)(SC[6a]OO)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]C)(NHS)(H){1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]O){1|C<1>,2|C<3>,2|H<1>}	N(C[5]C[5]N[5]H)(SC[6a]OO)(H)	113.0310	0.000	1	113.0310	0.000	1	113.0310	0.000	1	113.0310	0.000	1	113.6405	11.563	19	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5]	N[5]	N	3:3:3:1:	4:3:3:	4:3:1:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:B[5]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NC[6a]H)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2)	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NC[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2){2|C<4>,4|C<3>}	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1	113.6405	11.563	19	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5]	N[5]	N	3:3:3:1:	4:3:3:	4:4:1:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:B[5]-3:C[6a]-3:	C[5]-4:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NCH)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2)	N(C[5]C[5,6a]N[5]H)(CC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NCH)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2){2|C<4>,4|C<3>}	N(C[5]C[5,6a]N[5]H)(CC3)(H)	114.3780	0.000	1	114.3780	0.000	1	114.3780	0.000	1	114.3780	0.000	1	113.6405	11.563	19	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5]	N[5]	N	3:3:3:1:	4:3:4:	4:1:1:	N[5]-3:N[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:	C[5](N[5]C[5]C)2(NHH)(H)	N[5](C[5]N[5]HN)(C[5]C[5]O)(CC3)	N(C[5]N[5]2H)(H)2	C[5](N[5]C[5]C)2(NHH)(H){2|O<1>}	N[5](C[5]N[5]HN)(C[5]C[5]O)(CC3){1|C<4>,1|O<1>}	N(C[5]N[5]2H)(H)2	113.0282	2.675	4	113.0282	7.153	4	113.0282	7.153	4	113.0282	7.153	4	113.6405	11.563	19	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5]	N[5]	N	3:3:3:1:	4:3:4:	4:3:1:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:B[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3)	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3){2|C<3>}	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	113.6405	11.563	19	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5]	N[5]	N	3:3:3:1:	4:3:4:	4:4:1:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCH)(H)	N[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]HH)	N(C[5]C[5,6a]N[5]H)(CC[6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	N(C[5]C[5,6a]N[5]H)(CC[6a]HH)(H)	118.5950	0.000	1	118.5950	0.000	1	118.5950	0.000	1	118.5950	0.000	1	113.6405	11.563	19	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5]	N[5]	N	3:3:3:1:	4:4:4:	4:4:1:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H)	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH)	N(C[5]C[5,6a]N[5]H)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	N(C[5]C[5,6a]N[5]H)(CCHH)(H)	114.3765	0.286	2	114.3765	0.082	2	114.3765	0.082	2	114.5970	0.187	3	113.6405	11.563	19	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5]	N[5]	N	3:3:3:1:	4:4:4:	4:4:1:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:C[6]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NC[6]H)(H)	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH)	N(C[5]C[5,6a]N[5]H)(C[6]C[6]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NC[6]H)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	N(C[5]C[5,6a]N[5]H)(C[6]C[6]2H)(H)	115.0380	0.000	1	115.0380	0.000	1	115.0380	0.000	1	114.5970	0.187	3	113.6405	11.563	19	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5]	N[5]	N	3:3:3:3:	4:4:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-4:N[5]-3:	C[5]-4:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(NC[6a]C)	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C)	N(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(NC[6a]C){3|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(COO)	107.7460	0.000	1	107.7460	0.000	1	107.7460	0.000	1	107.7460	0.000	1	113.6405	11.563	19	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5]	N[5]	N	3:3:4:3:	4:3:1:	4:4:1:	C[5]-3:N[5]-3:C-4:N-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH)	N[5](C[5]C[5]CN)(C[5]N[5]S)(H)	N(C[5]C[5]N[5]C)(CCHH)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH){1|C<4>,1|S<1>}	N[5](C[5]C[5]CN)(C[5]N[5]S)(H){1|C<4>,1|O<1>}	N(C[5]C[5]N[5]C)(CCHH)(H)	114.3110	0.000	1	114.3110	0.000	1	114.3110	0.000	1	114.3110	0.000	1	113.6405	11.563	19	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5]	N[5]	N	3:4:3:1:	3:4:4:	4:3:3:	N[5]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(NC[6a]2)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)	N(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(NC[6a]2)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN){2|C<3>,2|H<1>,4|C<4>}	N(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	113.6720	0.000	1	113.6720	0.000	1	113.6720	0.000	1	113.6720	0.000	1	113.6405	11.563	19	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5]	N[5]	N	4:3:3:1:	4:3:4:	4:3:1:	C[5]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(H)	N[5](C[5]C[5]HN)(C[5]C[5]O)(CH3)	N(C[5]C[5]N[5]H)(C[6a]N[6a]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]HN)(C[5]C[5]O)(CH3){4|H<1>}	N(C[5]C[5]N[5]H)(C[6a]N[6a]2)(H)	114.4610	0.000	1	114.4610	0.000	1	114.4610	0.000	1	114.4610	0.000	1	113.6405	11.563	19	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5]	N[5]	N	4:3:3:1:	4:3:4:	4:3:3:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(NC[6a]2)(H)	N[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(C[5]C[5]CC)	N(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(NC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	N[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	N(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	113.7980	0.000	1	113.7980	0.000	1	113.7980	0.000	1	113.7980	0.000	1	113.6405	11.563	19	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5]	N[5]	N	4:3:3:1:	4:3:4:	4:4:1:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:S-4:H-1:	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[5]C)(NHS)(H)	N[5](C[5]C[5,6]HN)(C[5]O[5]O)(CC[6a]HH)	N(C[5]C[5,6]N[5]H)(SO3)(H)	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[5]C)(NHS)(H){1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HN)(C[5]O[5]O)(CC[6a]HH){1|C<4>,1|O<2>}	N(C[5]C[5,6]N[5]H)(SO3)(H)	110.2770	0.000	1	110.2770	0.000	1	110.2770	0.000	1	110.2770	0.000	1	113.6405	11.563	19	112.6025	12.238	28
474	542	956	0:SP3_SP2_SP3	C[5]	N[5]	N	4:3:3:1:	4:4:4:	4:4:4:	B[5]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C-4:C-4:	C[5](B[5]C[5]Br2)(N[5]C[5]C)(NCC)(H)	N[5](C[5]B[5]HN)(C[5]C[5]CH)(CCCH)	N(C[5]B[5]N[5]H)(CCCH)2	C[5](B[5]C[5]Br2)(N[5]C[5]C)(NCC)(H){1|C<4>,3|H<1>}	N[5](C[5]B[5]HN)(C[5]C[5]CH)(CCCH){2|Br<1>,2|H<1>}	N(C[5]B[5]N[5]H)(CCCH)2	122.7600	0.000	1	122.7600	0.000	1	122.7600	0.000	1	122.7600	0.000	1	113.6405	11.563	19	112.6025	12.238	28
474	542	956	0:SP3_SP3_SP3	C[5,5]	N[5]	N	3:4:3:3:	4:3:1:	4:4:1:	C[5,6a]-3:C[5,5]-4:N[5]-3:N-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:S-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHS)	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H)	N(C[5,5]C[5,6a]C[5,5]N[5])(SCOO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHS){1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N(C[5,5]C[5,6a]C[5,5]N[5])(SCOO)(H)	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	111.7580	5.939	10
474	542	956	0:SP3_SP3_SP3	C[5,6]	N[5,6]	N	4:3:3:1:	4:4:3:	4:3:1:	C[5,5,6]-4:N[5,6]-3:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(NC[6a]H)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)	N(C[5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(NC[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2){2|N<3>,3|C<3>,4|H<1>}	N(C[5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]2)(H)	109.7845	1.112	4	109.7845	1.237	4	109.7845	1.237	4	109.7845	1.237	4	109.7845	1.237	4	111.7580	5.939	10
474	542	956	0:SP3_SP3_SP3	C[5]	N[5]	N	3:3:3:1:	3:4:4:	4:1:1:	C[5]-3:N[5]-3:N-3:H-1:	N[5]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(NHH)(H)	N[5](N[5]C[6a]N[5])(C[5]C[5]HN)(CH3)	N(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(NHH)(H){3|C<3>}	N[5](N[5]C[6a]N[5])(C[5]C[5]HN)(CH3){3|C<3>}	N(C[5]C[5]N[5]H)(H)2	114.8350	0.000	1	114.8350	0.000	1	114.8350	0.000	1	114.8350	0.000	1	113.8722	1.162	5	111.7580	5.939	10
474	542	956	0:SP3_SP3_SP3	C[5]	N[5]	N	3:3:3:1:	4:4:4:	4:4:1:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H)	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH)	N(C[5]C[5,6a]N[5]H)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	N(C[5]C[5,6a]N[5]H)(CCHH)(H)	112.8890	0.881	2	112.8890	0.776	2	113.6315	1.163	4	113.6315	1.163	4	113.8722	1.162	5	111.7580	5.939	10
474	542	956	0:SP3_SP3_SP3	C[5]	N[5]	N	3:3:3:1:	4:4:4:	4:4:1:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H)	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH)	N(C[5]C[5,6a]N[5]H)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	N(C[5]C[5,6a]N[5]H)(CCHH)(H)	114.3740	0.711	2	114.3740	0.506	2	113.6315	1.163	4	113.6315	1.163	4	113.8722	1.162	5	111.7580	5.939	10
474	542	959	0:SP3_SP2_SP3	C[5,5]	N[5]	S[5]	4:4:3:3:	4:2:1:	4:2:1:1:	C[5,5]-4:S[5]-4:N[5]-3:S-3:	C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:N[5]-2:O-1:O-1:	C[5,5](C[5,5]C[6a]C[5]N[5])(S[5]N[5]OO)(N[5]N[5]H)(SCO)	N[5](C[5,5]C[5,5]S[5]S)(N[5]N[5])(H)	S[5](C[5,5]C[5,5]N[5]S)(N[5]C[5])(O)2	C[5,5](C[5,5]C[6a]C[5]N[5])(S[5]N[5]OO)(N[5]N[5]H)(SCO){1|N<3>,2|C<3>}	N[5](C[5,5]C[5,5]S[5]S)(N[5]N[5])(H){1|N<2>,2|C<3>,2|O<1>}	S[5](C[5,5]C[5,5]N[5]S)(N[5]C[5])(O)2{1|C<3>,1|H<1>,1|N<3>,2|N<2>}	113.4760	0.000	1	113.4760	0.000	1	113.4760	0.000	1	113.4760	0.000	1	113.4760	0.000	1	113.4760	0.000	1
474	542	959	5:SP3_SP2_SP3	C[5,6]	N[5,6]	S[5]	3:4:4:1:	4:4:3:	4:4:1:1:	N[5,6]-3:C[6]-4:S[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:O-1:O-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5]OO)(H)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	S[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(O)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,2|O<1>,4|H<1>}	S[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(O)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	103.6960	0.000	1	103.6960	0.000	1	103.6960	0.000	1	103.6960	0.000	1	103.6960	0.000	1	102.2419	3.792	5
474	542	959	5:SP3_SP2_SP3	C[5]	N[5,5]	S[5]	3:4:4:1:	4:4:3:	4:4:1:1:	N[5,5]-3:S[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:O-1:O-1:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(O)2	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|O<2>,2|O<1>,3|H<1>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(O)2{3|C<3>}	99.2245	0.000	1	99.2245	0.000	1	99.2245	0.000	1	99.2245	0.000	1	99.2245	0.000	1	102.2419	3.792	5
474	542	959	5:SP3_SP2_SP3	C[5]	N[5,6]	S[5]	3:4:1:1:	4:4:3:	4:4:1:1:	N[5,6]-3:S[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:O-1:O-1:	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O)	S[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(O)2	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2{1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O){1|N<2>,2|H<1>,3|O<1>}	S[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(O)2{1|N<2>,2|C<3>}	103.7550	0.000	1	103.4660	0.167	2	103.4660	0.167	2	103.4660	0.167	2	103.4660	0.167	2	102.2419	3.792	5
474	542	959	5:SP3_SP2_SP3	C[5]	N[5,6]	S[5]	3:4:1:1:	4:4:3:	4:4:1:1:	N[5,6]-3:S[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:O-1:O-1:	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O)	S[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(O)2	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O){1|N<2>,3|H<1>,3|O<1>}	S[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(O)2{1|N<3>,2|C<3>}	103.1770	0.000	1	103.4660	0.167	2	103.4660	0.167	2	103.4660	0.167	2	103.4660	0.167	2	102.2419	3.792	5
474	542	959	5:SP3_SP2_SP3	C[5]	N[5]	S[5]	3:3:4:1:	4:4:3:	4:4:1:1:	N[5]-3:C[6a]-3:S[5]-4:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-4:O-1:O-1:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5]OO)(H)	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(O)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5]OO)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,2|O<1>,6|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(O)2{1|C<4>,1|O<1>,2|C<3>}	101.3570	0.000	1	101.3570	0.000	1	101.3570	0.000	1	101.3570	0.000	1	101.3570	0.000	1	102.2419	3.792	5
474	542	959	5:SP3_SP3_SP3	C[5]	N[5,5]	S[5]	3:4:4:1:	4:4:3:	4:4:1:1:	N[5,5]-3:S[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:O-1:O-1:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(O)2	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|C<3>,2|O<1>,5|H<1>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(O)2{1|C<4>,2|C<3>}	98.6896	0.000	1	98.6896	0.000	1	98.6896	0.000	1	98.6896	0.000	1	98.6896	0.000	1	98.6896	0.000	1
474	542	960	0:SP3_SP2_SP2	C[5,5,6]	N[5,6]	N[5]	4:3:4:2:	4:3:4:	4:3:	C[5,6]-4:N[5,6]-3:C[5]-4:N[5]-2:	C[5,5,6]-4:C[6]-3:C[5]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,6]N[5a,6]O[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(N[5]C[5])	N[5,6](C[5,5,6]C[5,6]C[5]N[5])(C[6]C[5a,6]O)(C[5]C[5]HH)	N[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]O[5]N)	C[5,5,6](C[5,6]N[5a,6]O[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(N[5]C[5]){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]C[5]N[5])(C[6]C[5a,6]O)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	N[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]O[5]N){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	111.2550	0.000	1	111.2550	0.000	1	111.2550	0.000	1	111.2550	0.000	1	111.2897	0.001	3	111.9439	5.356	11
474	542	960	0:SP3_SP2_SP2	C[5,5,6]	N[5,6]	N[5]	4:4:3:2:	4:4:3:	4:3:	C[5,6]-4:C[5,6]-4:N[5,6]-3:N[5]-2:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,6]N[5a,6]N[5]H)(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5])	N[5,6](C[5,5,6]C[5,6]2N[5])(C[5]C[5,6]HH)(C[6]C[5a,6]O)	N[5](C[5,5,6]C[5,6]2N[5,6])(C[5]N[5]S)	C[5,5,6](C[5,6]N[5a,6]N[5]H)(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,6|H<1>}	N[5,6](C[5,5,6]C[5,6]2N[5])(C[5]C[5,6]HH)(C[6]C[5a,6]O){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	N[5](C[5,5,6]C[5,6]2N[5,6])(C[5]N[5]S){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	111.3070	0.000	2	111.3070	0.000	2	111.3070	0.000	2	111.3070	0.000	2	111.2897	0.001	3	111.9439	5.356	11
474	542	960	0:SP3_SP2_SP2	C[5,5]	N[5]	N[5]	3:4:2:2:	4:3:3:	4:3:	N[5]-3:C[5]-4:N[5]-2:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5])(O[5]C[5])	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]H)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5])(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]H){1|C<4>,2|H<1>,4|C<3>}	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	112.1893	7.399	8	111.9439	5.356	11
474	542	960	0:SP3_SP2_SP2	C[5,5]	N[5]	N[5]	4:3:2:1:	3:4:3:	4:4:	C[5,5]-4:N[5]-3:N[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	114.3720	0.000	1	114.3720	0.000	1	114.4510	0.012	2	114.4510	0.012	2	112.1893	7.399	8	111.9439	5.356	11
474	542	960	0:SP3_SP2_SP2	C[5,5]	N[5]	N[5]	4:3:2:1:	3:4:3:	4:4:	C[5,5]-4:N[5]-3:N[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5])(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|O<2>,2|H<1>,3|C<3>}	114.5300	0.000	1	114.5300	0.000	1	114.4510	0.012	2	114.4510	0.012	2	112.1893	7.399	8	111.9439	5.356	11
474	542	960	0:SP3_SP2_SP2	C[5,5]	N[5]	N[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5]-4:N[5]-3:N[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5])(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5])(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	114.8100	0.000	1	114.8100	0.000	1	114.8100	0.000	1	114.8100	0.000	1	112.1893	7.399	8	111.9439	5.356	11
474	542	960	0:SP3_SP2_SP2	C[5,5]	N[5]	N[5]	4:3:3:2:	4:3:1:	4:3:	C[5,5,6]-4:C[6a]-3:N[5]-3:N[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]S)(H)	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]S)	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<4>,2|H<1>,2|S<1>,4|C<3>}	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]S)(H){1|C<4>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]S){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	112.1893	7.399	8	111.9439	5.356	11
474	542	960	0:SP3_SP2_SP2	C[5,5]	N[5]	N[5]	4:3:3:2:	4:3:3:	4:3:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,9|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5]){8|C<3>}	109.0550	0.000	1	109.0550	0.000	1	109.0550	0.000	1	109.0550	0.000	1	112.1893	7.399	8	111.9439	5.356	11
474	542	960	0:SP3_SP2_SP2	C[5,5]	N[5]	N[5]	4:3:3:2:	4:3:4:	4:3:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){4|H<1>,9|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5]){2|C<4>,6|C<3>}	109.6090	0.000	1	109.6090	0.000	1	111.7115	8.841	2	111.7115	8.841	2	112.1893	7.399	8	111.9439	5.356	11
474	542	960	0:SP3_SP2_SP2	C[5,5]	N[5]	N[5]	4:3:3:2:	4:3:4:	4:3:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<2>,5|H<1>,7|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<2>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5]){2|C<4>,6|C<3>}	113.8140	0.000	1	113.8140	0.000	1	111.7115	8.841	2	111.7115	8.841	2	112.1893	7.399	8	111.9439	5.356	11
474	542	960	5:SP3_SP2_SP2	C[5,5]	N[5]	N[5]	3:4:4:2:	4:3:3:	4:2:	N[5]-3:C[5]-4:C[5]-4:N[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-2:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)2(N[5]N[5])	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)2(N[5]N[5]){1|S<1>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|C<4>,6|H<1>}	N[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	101.5780	0.000	1	101.5780	0.000	1	101.5780	0.000	1	101.5780	0.000	1	101.5780	0.000	1	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5,6]	N[5]	N[5]	3:2:4:4:	3:4:1:	3:4:	N[5]-3:N[5]-2:C[6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](N[5]C[5,6a]O)(N[5]C[5,6a])(C[6]C[6]HH)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])	C[5,6](N[5]C[5,6a]O)(N[5]C[5,6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(O){2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	105.0980	0.000	1	105.0980	0.000	1	105.0980	0.000	1	105.0980	0.000	1	103.7413	2.182	15	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5,6]	N[5]	N[5]	3:3:3:2:	4:3:4:	4:3:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3)	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3){2|H<1>,3|C<3>}	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	104.0585	0.262	4	104.3609	0.172	8	104.3609	0.172	8	104.3609	0.172	8	103.7413	2.182	15	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5,6]	N[5]	N[5]	3:3:3:2:	4:3:4:	4:3:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3)	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3){2|H<1>,3|C<3>}	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	104.2170	0.000	1	104.3609	0.172	8	104.3609	0.172	8	104.3609	0.172	8	103.7413	2.182	15	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5,6]	N[5]	N[5]	3:3:3:2:	4:3:4:	4:3:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3)	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3){2|H<1>,3|C<3>}	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	104.8120	0.014	3	104.3609	0.172	8	104.3609	0.172	8	104.3609	0.172	8	103.7413	2.182	15	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5,6]	N[5]	N[5]	3:3:4:2:	4:3:3:	4:2:	C[6,6a]-3:N[5]-3:C[6]-4:N[5]-2:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:N[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[6]HH)(N[5]N[5])	N[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5,6]C[6,6a]C[6]N[5])(N[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[6]HH)(N[5]N[5]){1|C<4>,1|S<1>,3|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[6]N[5])(N[5]C[5]){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	100.8720	0.000	1	100.8720	0.000	1	100.8720	0.000	1	100.8720	0.000	1	103.7413	2.182	15	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5,6]	N[5]	N[5]	3:4:3:2:	4:3:3:	4:3:	N[5]-3:C[6]-4:C[6]-3:N[5]-2:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5]C[6a]C[5])(C[6]C[6]BrH)(C[6]C[6]H)(N[5]C[5])	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)	N[5](C[5,6]C[6]2N[5])(C[5]C[5]H)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]BrH)(C[6]C[6]H)(N[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6]C[6]2N[5])(C[5]C[5]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	104.6470	0.107	2	104.6470	0.012	2	104.6470	0.012	2	104.6470	0.012	2	103.7413	2.182	15	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5,6]	N[5]	N[5]	3:4:4:2:	4:3:3:	4:2:	N[5]-3:C[6]-4:C[6]-4:N[5]-2:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:N[5]-2:	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(N[5]N[5])	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5,6]C[6]2N[5])(N[5]C[5])	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|C<4>,6|H<1>}	N[5](C[5,6]C[6]2N[5])(N[5]C[5]){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	101.3190	0.000	1	101.3190	0.000	1	101.3190	0.000	1	101.3190	0.000	1	103.7413	2.182	15	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5,6]	N[5]	N[5]	4:4:3:2:	4:3:1:	4:3:	C[6]-4:C[6]-4:N[5]-3:N[5]-2:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(N[5]C[5]O)(N[5]C[5])	N[5](C[5,6]C[6]2N[5])(C[5]N[5a]C[5])(O)	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])	C[5,6](C[6]C[6]HH)2(N[5]C[5]O)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6]C[6]2N[5])(C[5]N[5a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	103.8520	0.000	1	103.8520	0.000	1	103.8520	0.000	1	103.8520	0.000	1	103.7413	2.182	15	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5,6]	N[5]	N[5]	4:4:3:2:	4:3:4:	4:2:	C[6]-4:C[6]-4:N[5]-3:N[5]-2:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-2:	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(N[5]N[5])	N[5](C[5,6]C[6]2N[5])(C[5]N[5]S)(CC[6a]HH)	N[5](C[5,6]C[6]2N[5])(N[5]C[5])	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(N[5]N[5]){1|C<4>,1|S<1>,4|H<1>}	N[5](C[5,6]C[6]2N[5])(C[5]N[5]S)(CC[6a]HH){2|C<4>,4|H<1>}	N[5](C[5,6]C[6]2N[5])(N[5]C[5]){1|S<1>,3|C<4>,4|H<1>}	100.7980	0.000	1	100.7980	0.000	1	100.7980	0.000	1	100.7980	0.000	1	103.7413	2.182	15	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:2:4:3:	4:3:3:	3:4:	N[5]-3:N[5]-2:C-4:C-3:	C[5]-4:N[5]-3:C-3:	C[5]-3:C[5]-4:	C[5](N[5]N[5]C)(N[5]C[5])(CCCH)(COO)	N[5](C[5]N[5]CC)(N[5]C[5]C)(COO)	N[5](C[5]C[6a]N[5])(C[5]N[5]CC)	C[5](N[5]N[5]C)(N[5]C[5])(CCCH)(COO){2|C<3>}	N[5](C[5]N[5]CC)(N[5]C[5]C)(COO){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]CC){4|C<3>}	103.2800	0.000	1	103.2800	0.000	1	103.2800	0.000	1	103.2800	0.000	1	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:2:4:4:	3:4:1:	3:4:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2	N[5](C[5]C[5a]C[5])(C[5]N[5]CC)(O)	N[5](C[5]C[6a]C[5])(C[5]N[5]CC)	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2{2|C<3>}	N[5](C[5]C[5a]C[5])(C[5]N[5]CC)(O){3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]CC){1|O<1>,3|C<3>}	103.8210	0.000	1	103.8210	0.000	1	103.8210	0.000	1	103.8210	0.000	1	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:2:4:4:	3:4:3:	4:2:	N[5]-3:N[5]-2:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S)	N[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3){1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S){2|C<3>,2|H<1>}	N[5](C[5]N[5]CC)(N[5]C[5]){1|C<3>,1|S<1>}	101.3580	0.000	1	101.3580	0.000	1	101.0288	0.095	5	101.0288	0.095	5	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:2:4:4:	3:4:3:	4:2:	N[5]-3:N[5]-2:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)2	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S)	N[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)2{1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S){2|C<3>,2|H<1>}	N[5](C[5]N[5]CC)(N[5]C[5]){1|C<3>,1|S<1>}	100.9320	0.000	1	100.9320	0.000	1	101.0288	0.095	5	101.0288	0.095	5	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:2:4:4:	3:4:3:	4:2:	N[5]-3:N[5]-2:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]S)	N[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2{1|S<1>,2|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]S){1|H<1>,3|C<3>}	N[5](C[5]N[5]CC)(N[5]C[5]){1|C<3>,1|S<1>}	100.5510	0.000	1	100.5510	0.000	1	101.0288	0.095	5	101.0288	0.095	5	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:2:4:4:	3:4:3:	4:2:	N[5]-3:N[5]-2:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S)	N[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2{1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]N[5]CC)(N[5]C[5]){1|C<3>,1|S<1>}	101.0980	0.000	1	101.1515	0.006	2	101.0288	0.095	5	101.0288	0.095	5	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:2:4:4:	3:4:3:	4:2:	N[5]-3:N[5]-2:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S)	N[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2{1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S){2|C<3>,2|H<1>}	N[5](C[5]N[5]CC)(N[5]C[5]){1|C<3>,1|S<1>}	101.2050	0.000	1	101.1515	0.006	2	101.0288	0.095	5	101.0288	0.095	5	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:2:4:4:	4:2:1:	4:3:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:N[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](N[5]N[5]O)(N[5]C[5])(CH3)2	N[5](C[5]N[5]CC)(N[5]C[5])(O)	N[5](C[5]N[5]CC)(C[5]N[5]O)	C[5](N[5]N[5]O)(N[5]C[5])(CH3)2{1|O<1>}	N[5](C[5]N[5]CC)(N[5]C[5])(O){1|O<1>}	N[5](C[5]N[5]CC)(C[5]N[5]O){1|O<1>}	97.7034	0.000	1	97.7034	0.000	1	97.7034	0.000	1	97.7034	0.000	1	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:2:4:4:	4:3:1:	3:4:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:	C[5](N[5]C[5]H)(N[5]C[5])(CH3)2	N[5](C[5]N[5]CC)(C[5]C[5]O)(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]CC)	C[5](N[5]C[5]H)(N[5]C[5])(CH3)2{1|C<3>,1|O<1>}	N[5](C[5]N[5]CC)(C[5]C[5]O)(H){1|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<3>}	103.4680	0.000	1	103.4680	0.000	1	103.4680	0.000	1	103.4680	0.000	1	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:2:4:4:	4:4:1:	3:4:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5]-3:C[5]-4:	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2	N[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	N[5](C[5]C[5]N[5])(C[5]N[5]CC)	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2{1|N<3>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|N<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]CC){1|C<3>,1|O<1>,3|C<4>}	102.3870	0.000	1	102.3870	0.000	1	102.3870	0.000	1	102.3870	0.000	1	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:1:	4:4:3:	4:3:	C[6a]-3:N[5]-3:N[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(CC[6a]O)	N[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])(H){1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(CC[6a]O){3|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5]){1|O<2>,6|C<3>}	103.7660	0.000	1	103.7660	0.000	1	103.7660	0.000	1	103.7660	0.000	1	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:3:	4:3:3:	4:3:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO)	N[5](C[5]C[6a]N[5]C)(C[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO){1|H<1>,2|C<3>}	N[5](C[5]C[6a]N[5]C)(C[5]N[5]H){4|C<3>}	104.9650	0.000	1	104.9650	0.000	1	104.1435	1.350	2	104.1435	1.350	2	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:3:	4:3:3:	4:3:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO)	N[5](C[5]C[6a]N[5]C)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO){1|S<2>,2|C<3>}	N[5](C[5]C[6a]N[5]C)(C[5]N[5]S){4|C<3>}	103.3220	0.000	1	103.3220	0.000	1	104.1435	1.350	2	104.1435	1.350	2	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:4:	4:4:4:	4:3:	C[6a]-3:N[5]-3:N[5]-2:C-4:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(CCCH)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC[6a]OO)	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(CCCH){3|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC[6a]OO){3|C<3>}	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5]){1|S<4>,2|H<1>,4|C<3>}	103.0615	0.033	2	103.0615	0.001	2	103.0615	0.001	2	103.0615	0.001	2	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:2:	4:2:4:	4:3:	C[6a]-3:C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:O[5]-2:C-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5])	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3)	N[5](C[5]C[6a]2N[5])(C[5]O[5]N)	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3){1|N<3>,4|C<3>}	N[5](C[5]C[6a]2N[5])(C[5]O[5]N){1|C<4>,4|C<3>}	105.2510	0.341	2	105.2510	0.116	2	105.2510	0.116	2	105.2510	0.116	2	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:2:	4:4:2:	4:3:	C[6a]-3:C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:C-4:O[5]-2:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5])	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])	N[5](C[5]C[6a]2N[5])(C[5]N[6]O[5])	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5]){1|N<3>,4|C<3>}	N[5](C[5]C[6a]2N[5])(C[5]N[6]O[5]){3|C<4>,4|C<3>}	105.3280	0.000	1	105.3280	0.000	1	105.1615	0.055	2	105.1615	0.055	2	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:2:	4:4:2:	4:3:	C[6a]-3:C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:C-4:O[5]-2:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5])	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])	N[5](C[5]C[6a]2N[5])(C[5]O[5]N)	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5]){1|N<3>,4|C<3>}	N[5](C[5]C[6a]2N[5])(C[5]O[5]N){1|C<4>,4|C<3>}	104.9950	0.000	1	104.9950	0.000	1	105.1615	0.055	2	105.1615	0.055	2	102.8844	4.065	19	103.2144	3.312	35
474	542	960	5:SP3_SP2_SP3	C[5,5]	N[5,5]	N[5]	3:3:2:4:	4:3:3:	4:3:	N[5,5]-3:C[5]-3:N[5]-2:C-4:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]C[5]N[5])(C[5]N[5]O)(N[5]C[5])(CCCH)	N[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[5])	C[5,5](N[5,5]C[5]N[5])(C[5]N[5]O)(N[5]C[5])(CCCH){1|C<4>,1|O<1>,2|C<3>}	N[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[5]){1|N<3>,1|O<1>,4|C<3>}	104.9280	0.000	1	104.9280	0.000	1	104.9280	0.000	1	104.9280	0.000	1	105.8040	1.535	2	105.1778	1.944	9
474	542	960	5:SP3_SP2_SP3	C[5,5]	N[5,5]	N[5]	3:4:3:2:	3:4:4:	4:3:	N[5,5]-3:C[5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5])	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)	N[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[6a]C[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH){2|H<1>,6|C<3>}	N[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[6a]C[5]){4|H<1>,6|C<3>}	106.6800	0.000	1	106.6800	0.000	1	106.6800	0.000	1	106.6800	0.000	1	105.8040	1.535	2	105.1778	1.944	9
474	542	960	5:SP3_SP2_SP3	C[5]	N[5,5]	N[5]	3:3:2:1:	4:4:3:	4:3:	N[5,5]-3:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[5]-4:N[5,5]-3:	C[5]-4:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])(H)	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2)	N[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])(H){2|C<4>,3|H<1>,4|C<3>}	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C){1|C<4>,3|C<3>}	106.5120	0.000	1	106.5120	0.000	1	106.5120	0.000	1	106.5120	0.000	1	106.5120	0.000	1	105.1778	1.944	9
474	542	960	5:SP3_SP2_SP3	C[5]	N[5]	N[5]	3:2:3:1:	3:4:4:	3:4:	N[5]-3:N[5]-2:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a])(C[5]N[5]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a])(C[5]N[5]2)(H){1|Rh<6>,1|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3){1|H<1>,2|C<3>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	102.5970	0.000	1	102.5970	0.000	1	102.5970	0.000	1	102.5970	0.000	1	104.7467	2.067	6	105.1778	1.944	9
474	542	960	5:SP3_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:1:	4:4:4:	4:3:	C[6a]-3:N[5]-3:N[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(SCOO)	N[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(H){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(SCOO){5|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5]){1|H<1>,1|S<4>,5|C<3>}	105.9560	0.000	1	105.9560	0.000	1	105.9560	0.000	1	105.9560	0.000	1	104.7467	2.067	6	105.1778	1.944	9
474	542	960	5:SP3_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:3:	4:3:3:	4:3:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO)	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO){3|C<3>}	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){6|C<3>}	103.2640	0.000	1	103.2640	0.000	1	103.2640	0.000	1	103.2640	0.000	1	104.7467	2.067	6	105.1778	1.944	9
474	542	960	5:SP3_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:2:	4:2:4:	4:3:	C[6a]-3:C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:O[5]-2:C-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5])	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3)	N[5](C[5]C[6a]2N[5])(C[5]N[5]O[5])	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3){1|N<3>,4|C<3>}	N[5](C[5]C[6a]2N[5])(C[5]N[5]O[5]){3|C<4>,4|C<3>}	105.7800	0.000	1	105.7800	0.000	1	105.5543	0.049	3	105.5543	0.049	3	104.7467	2.067	6	105.1778	1.944	9
474	542	960	5:SP3_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:2:	4:2:4:	4:3:	C[6a]-3:C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:O[5]-2:C-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5])	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3)	N[5](C[5]C[6a]2N[5])(C[5]O[5]N)	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3){1|N<3>,4|C<3>}	N[5](C[5]C[6a]2N[5])(C[5]O[5]N){1|C<4>,4|C<3>}	105.4415	0.145	2	105.4415	0.021	2	105.5543	0.049	3	105.5543	0.049	3	104.7467	2.067	6	105.1778	1.944	9
474	542	975	0:SP3_SP3_SP3	C[5,6]	N[5]	Se[6]	3:2:2:3:	4:3:4:	4:3:	N[5]-3:Se[5]-2:Se[6]-2:C[6]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:C[6,6a]-3:	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O)	N[5](C[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3)	Se[6](C[5,6]Se[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O){1|C<4>,4|C<3>}	N[5](C[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	Se[6](C[5,6]Se[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1
474	542	976	0:SP3_SP2_SP2	C[3x5]	N[5]	O[5]	3:4:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[3x5]-4:N[5]-3:O[5]-2:	C[3x5]-4:C[5]-3:C-3:	C[3x5]-4:C[5]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]3)(N[5]C[5]C)(O[5]C[5])	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCH)	O[5](C[3x5]C[5,6a]C[3x5]N[5])(C[5]C[5]N)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]3)(N[5]C[5]C)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCH){6|C<3>}	O[5](C[3x5]C[5,6a]C[3x5]N[5])(C[5]C[5]N){1|C<2>,6|C<3>}	111.2780	0.000	1	111.2780	0.000	1	111.2780	0.000	1	111.2780	0.000	1	110.7887	3.235	8	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[3x5]	N[5]	O[5]	3:4:3:2:	4:3:4:	4:3:	C[5,6a]-3:C[3x5]-4:N[5]-3:O[5]-2:	C[3x5]-4:C[5]-3:C-4:	C[3x5]-4:C[5]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]3)(N[5]C[5]C)(O[5]C[5])	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCHH)	O[5](C[3x5]C[5,6a]C[3x5]N[5])(C[5]C[5]N)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]3)(N[5]C[5]C)(O[5]C[5]){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCHH){6|C<3>}	O[5](C[3x5]C[5,6a]C[3x5]N[5])(C[5]C[5]N){1|C<2>,1|C<4>,5|C<3>}	110.7270	0.000	1	110.7270	0.000	1	110.7270	0.000	1	110.7270	0.000	1	110.7887	3.235	8	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[3x5]	N[5]	O[5]	4:2:3:2:	4:3:1:	4:2:	C[3x5]-4:O[5]-2:N[5]-3:O[5]-2:	C[3x5]-4:C[5]-3:H-1:	C[3x5]-4:N[5]-2:	C[3x5](C[3x5]C[5,6a]C[5]2)(O[5]C[5,6a])(N[5]C[5]H)(O[5]N[5])	N[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]O)(H)	O[5](C[3x5]C[3x5]N[5]O[5])(N[5]C[5])	C[3x5](C[3x5]C[5,6a]C[5]2)(O[5]C[5,6a])(N[5]C[5]H)(O[5]N[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]O)(H){1|N<2>,2|H<1>,3|C<3>}	O[5](C[3x5]C[3x5]N[5]O[5])(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	112.4930	0.000	2	112.4930	0.000	2	112.4930	0.000	2	112.4930	0.000	2	110.7887	3.235	8	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[3x5]	N[5]	O[5]	4:2:3:2:	4:3:1:	4:3:	C[3x5]-4:O[5]-2:N[5]-3:O[5]-2:	C[3x5]-4:C[5]-3:H-1:	C[3x5]-4:C[5,6a]-3:	C[3x5](C[3x5]C[5,6a]C[5]2)(O[5]C[5,6a])(N[5]C[5]H)(O[5]N[5])	N[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]O)(H)	O[5](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[5,6a]C[6a])	C[3x5](C[3x5]C[5,6a]C[5]2)(O[5]C[5,6a])(N[5]C[5]H)(O[5]N[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]O)(H){1|N<2>,2|H<1>,3|C<3>}	O[5](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	111.5960	0.000	2	111.5960	0.000	2	111.5960	0.000	2	111.5960	0.000	2	110.7887	3.235	8	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[3x5]	N[5]	O[5]	4:4:3:2:	3:4:1:	3:4:	C[5,5]-4:C[5,5]-4:N[5]-3:O[5]-2:	C[5,6a]-3:C[3x5]-4:H-1:	C[5,6a]-3:C[3x5]-4:	C[3x5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2O[5])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2N[5])	C[3x5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O[5]C[5,6a]){1|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2O[5])(H){2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2N[5]){2|C<4>,4|C<3>,4|H<1>}	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	110.7887	3.235	8	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[3x5]	N[5]	O[5]	4:4:3:2:	4:3:4:	4:3:	C[3x5]-4:C[5,6]-4:N[5]-3:O[5]-2:	C[3x5]-4:C[5,6a]-3:S-4:	C[3x5]-4:C[5]-3:	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5])	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	O[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]O)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,3|C<4>,4|C<3>}	O[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]O){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	110.7887	3.235	8	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5,6,6]	N[5,6]	O[5]	4:4:3:2:	4:3:4:	4:3:	C[5,5,6]-4:C[3x6]-4:N[5,6]-3:O[5]-2:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6a]-3:	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a])	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)	O[5](C[5,5,6,6]C[5,5,6]C[3x6]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a]){3|C<4>,5|C<3>,5|H<1>}	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	O[5](C[5,5,6,6]C[5,5,6]C[3x6]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,3|C<4>,4|C<3>}	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5,6]	N[5,6]	O[5]	3:3:2:2:	4:4:3:	4:2:	N[5,6]-3:N[5,6]-3:O[5]-2:S[5]-2:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:N[5]-2:	C[5,5,6](N[5,6]C[5]C[6])2(O[5]N[5])(S[5]C[5])	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[6]C[6]HH)(C[5]C[5]O)	O[5](C[5,5,6]N[5,6]2S[5])(N[5]C[5])	C[5,5,6](N[5,6]C[5]C[6])2(O[5]N[5])(S[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[5](C[5,5,6]N[5,6]2S[5])(N[5]C[5]){2|C<4>,3|C<3>}	113.0230	0.000	1	113.0230	0.000	1	113.0230	0.000	1	113.0230	0.000	1	108.1664	7.425	5	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5,6]	N[5,6]	O[5]	3:4:4:2:	4:3:3:	4:3:	N[5,6]-3:C[5,6]-4:C[5]-4:O[5]-2:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5])	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	O[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]H)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	O[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]H){2|C<3>,2|C<4>,4|H<1>}	107.0803	0.100	3	107.0803	0.010	3	107.0803	0.010	3	107.0803	0.010	3	108.1664	7.425	5	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5,6]	N[5,6]	O[5]	4:3:4:2:	4:3:3:	4:3:	C[5,6]-4:N[5,6]-3:C[5]-4:O[5]-2:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[5]C[5])	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O)	O[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]H)	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	O[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]H){2|C<3>,2|C<4>,4|H<1>}	106.5680	0.000	1	106.5680	0.000	1	106.5680	0.000	1	106.5680	0.000	1	108.1664	7.425	5	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5,6]	N[5]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a])	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(H)	O[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5,6a]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a]){2|C<4>,4|H<1>,5|C<3>}	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	O[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5,6a]C[5,6a]C[6a]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:2:2:2:	3:4:4:	3:4:	N[5]-3:O[5]-2:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](N[5]C[5,6a]C)(O[5]C[5,6a])3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]2)	C[5,5](N[5]C[5,6a]C)(O[5]C[5,6a])3{4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3){1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]2){1|C<4>,1|H<1>,4|C<3>}	112.7600	0.000	1	112.6535	0.023	2	112.6535	0.023	2	112.6535	0.023	2	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:2:2:2:	3:4:4:	3:4:	N[5]-3:O[5]-2:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](N[5]C[5,6a]C)(O[5]C[5,6a])3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]2)	C[5,5](N[5]C[5,6a]C)(O[5]C[5,6a])3{4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3){1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]2){2|C<4>,4|C<3>}	112.5470	0.000	1	112.6535	0.023	2	112.6535	0.023	2	112.6535	0.023	2	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:2:4:3:	4:3:1:	3:4:	C[5]-3:O[5]-2:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]H)	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]H){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	110.5070	0.079	2	110.5070	0.006	2	110.5070	0.006	2	110.5070	0.006	2	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:2:4:3:	4:4:3:	3:4:	C[5]-3:O[5]-2:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]C)	N[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]C){2|C<3>,4|H<1>}	N[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	110.8275	0.326	2	110.8275	0.106	2	110.8275	0.106	2	110.8275	0.106	2	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:3:2:3:	4:3:1:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(N[5]C[5]H)	N[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]O)(H)	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	N[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]O)(H){5|C<3>}	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2N[5]){2|H<1>,6|C<3>}	109.2235	0.870	2	109.2235	0.758	2	109.2235	0.758	2	109.2235	0.758	2	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:3:3:2:	4:3:4:	4:3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(N[5]C[5]C)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(CC[6a]HH)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(N[5]C[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(CC[6a]HH){1|O<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,4|C<3>}	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[5,6a]-3:N[5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(O[5]C[5]){1|H<1>,2|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,6|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	109.6670	0.000	1	109.6670	0.000	1	109.6670	0.000	1	109.6670	0.000	1	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:4:2:3:	4:3:4:	4:3:	C[5,6a]-3:C[5]-4:O[5]-2:N[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(N[5]C[5]C){1|H<1>,1|O<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH){1|H<1>,5|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	110.1670	0.208	2	110.1670	0.043	2	110.1670	0.043	2	110.1670	0.043	2	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:4:2:3:	4:4:3:	3:4:	C[5]-3:C[5]-4:O[5]-2:N[5]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,6]-3:C[5,5]-4:	C[5,5](C[5]C[5,6]O)(C[5]C[5]HH)(O[5]C[5,6])(N[5]C[5]C)	N[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)	O[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])	C[5,5](C[5]C[5,6]O)(C[5]C[5]HH)(O[5]C[5,6])(N[5]C[5]C){2|C<4>,4|H<1>}	N[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,4|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5]){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:4:3:2:	4:3:3:	4:2:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-2:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(O[5]N[5])	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]O)	O[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(O[5]N[5]){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:4:3:2:	4:3:3:	4:3:	N[5]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]S)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]N)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|S<1>,3|H<1>,6|C<3>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]S){4|H<1>,7|C<3>}	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]N){1|C<4>,1|H<1>,5|C<3>}	108.0510	0.000	1	108.0510	0.000	1	108.0510	0.000	1	108.0510	0.000	1	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:4:3:2:	4:3:4:	4:3:	C[5,6a]-3:C[5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C[6]-4:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6a])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(C[6]C[6]2H)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6a]){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(C[6]C[6]2H){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	110.6470	0.000	1	110.6470	0.000	1	110.6470	0.000	1	111.5525	1.640	2	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:4:3:2:	4:3:4:	4:3:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-3:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]C[5]O)(O[5]C[5])	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)	O[5](C[5,5]C[5]2N[5])(C[5]C[5]2)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]C[5]O)(O[5]C[5]){2|H<1>,3|C<3>,4|C<4>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>,5|C<4>}	O[5](C[5,5]C[5]2N[5])(C[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,7|C<4>}	112.4580	0.000	1	112.4580	0.000	1	112.4580	0.000	1	111.5525	1.640	2	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:4:4:2:	4:3:3:	4:2:	N[5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-2:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5])	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]O[5]O)	O[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5]){1|O<1>,3|C<3>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]O[5]O){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:2:3:4:	4:3:4:	4:3:	C[5,5]-4:O[5]-2:N[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]C)(CH3)	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(CCCH)	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6])	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(CCCH){2|C<3>,3|H<1>}	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6]){2|C<3>,3|C<4>,3|H<1>}	107.9290	0.000	1	107.9290	0.000	1	107.9290	0.000	1	107.9290	0.000	1	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:2:4:3:	4:3:4:	3:4:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:S-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	N[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(SC[6a]OO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	N[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(SC[6a]OO){1|Br<1>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|Br<1>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	109.1683	0.465	4	109.1683	0.216	4	109.0819	0.412	8	109.0819	0.412	8	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:2:4:3:	4:3:4:	3:4:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:S-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	N[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(SC[6a]OO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	N[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	110.1940	0.000	1	110.1940	0.000	1	109.0819	0.412	8	109.0819	0.412	8	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:2:4:3:	4:3:4:	3:4:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:S-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	N[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(SC[6a]OO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,4|C<3>}	N[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(SC[6a]OO){3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|O<2>,1|S<4>,4|C<3>,4|H<1>}	108.2250	0.000	1	108.2250	0.000	1	109.0819	0.412	8	109.0819	0.412	8	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:2:4:3:	4:3:4:	3:4:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:S-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]HN)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	N[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(SC[6a]OO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,5](C[5]C[5,6a]HN)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	N[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(SC[6a]OO){1|N<2>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|N<2>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	108.9460	0.000	1	108.9460	0.000	1	109.0819	0.412	8	109.0819	0.412	8	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:2:4:3:	4:3:4:	3:4:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:S-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]HO)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	N[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(SC[6a]OO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,5](C[5]C[5,6a]HO)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	N[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(SC[6a]OO){1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|S<4>,2|O<2>,3|C<3>,4|H<1>}	108.6170	0.000	1	108.6170	0.000	1	109.0819	0.412	8	109.0819	0.412	8	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:1:	3:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]H)(O[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]H)(O[5]C[5,6a])(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){2|H<1>,5|C<3>}	112.4670	0.000	1	112.4670	0.000	1	112.4670	0.000	1	112.4670	0.000	1	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:3:	3:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO){1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){1|C<4>,1|H<1>,5|C<3>}	110.9200	0.000	1	110.9200	0.000	1	110.9200	0.000	1	110.9200	0.000	1	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:3:	4:3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H){1|C<2>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO){1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O){1|C<2>,1|C<4>,3|C<3>}	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:B[5]-3:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]Se)	O[5](C[5,5]C[5,5]N[5]H)(B[5]C[6a]O[5])	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|Se<1>,4|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]Se){1|B<3>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[5](C[5,5]C[5,5]N[5]H)(B[5]C[6a]O[5]){1|H<1>,1|N<3>,4|C<3>}	111.9705	0.254	2	111.9705	0.064	2	111.9705	0.064	2	111.9705	0.064	2	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:2:2:	4:3:4:	4:3:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5]N[5]CH)(N[5]C[5]C)(O[5]C[5])2	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	O[5](C[5,5]C[5]N[5]O[5])(C[5]N[5]O)	C[5,5](C[5]N[5]CH)(N[5]C[5]C)(O[5]C[5])2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[5](C[5,5]C[5]N[5]O[5])(C[5]N[5]O){1|C<3>,1|H<1>,4|C<4>}	109.5730	0.389	2	109.5730	0.151	2	109.4203	0.093	4	109.4203	0.093	4	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:2:2:	4:3:4:	4:3:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	O[5](C[5,5]C[5]N[5]O[5])(C[5]N[5]O)	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|C<3>,3|H<1>}	O[5](C[5,5]C[5]N[5]O[5])(C[5]N[5]O){1|C<3>,2|H<1>,3|C<4>}	109.1380	0.000	1	109.2675	0.034	2	109.4203	0.093	4	109.4203	0.093	4	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:2:2:	4:3:4:	4:3:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	O[5](C[5,5]C[5]N[5]O[5])(C[5]N[5]O)	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2{1|H<1>,2|C<4>,2|O<1>}	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[5](C[5,5]C[5]N[5]O[5])(C[5]N[5]O){1|C<3>,2|H<1>,3|C<4>}	109.3970	0.000	1	109.2675	0.034	2	109.4203	0.093	4	109.4203	0.093	4	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:2:4:	3:4:3:	4:3:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(CC[6a]O)	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	107.3890	0.114	3	107.3890	0.013	3	107.3890	0.013	3	107.3890	0.013	3	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:2:4:	4:3:3:	4:3:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O[5]C[5,6])(CH3)	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6])	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O[5]C[5,6])(CH3){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,3|C<3>,5|H<1>}	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	108.6250	0.000	1	108.8535	0.104	2	108.8535	0.104	2	108.8535	0.104	2	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:2:4:	4:3:3:	4:3:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O[5]C[5,6])(CH3)	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6])	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O[5]C[5,6])(CH3){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	109.0820	0.000	1	108.8535	0.104	2	108.8535	0.104	2	108.8535	0.104	2	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:2:4:	4:4:3:	4:3:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,5]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6])(CH3)	N[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2H)(C[5]C[5]O)	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6])	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6])(CH3){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,7|H<1>}	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6]){2|C<3>,3|C<4>,3|H<1>}	107.8140	0.000	1	107.8140	0.000	1	107.8140	0.000	1	107.8140	0.000	1	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:3:2:	3:4:1:	4:2:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(O[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)	O[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(O[5]N[5]){5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	O[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	109.5470	0.000	1	109.5470	0.000	1	109.5470	0.000	1	109.5470	0.000	1	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:3:2:	4:3:4:	4:2:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-2:	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5])	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CC[6a]HH)	O[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5]){1|C<3>,1|O<1>,2|C<4>}	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	110.0050	0.000	1	110.2015	0.077	2	110.2015	0.077	2	110.2015	0.077	2	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:3:2:	4:3:4:	4:2:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-2:	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5])	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CC[6a]HH)	O[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5]){1|O<1>,3|C<4>}	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	110.3980	0.000	1	110.2015	0.077	2	110.2015	0.077	2	110.2015	0.077	2	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:3:2:	4:3:4:	4:3:	C[5]-4:N[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]HH)(N[5]C[5]C)2(O[5]C[5])	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(CC3)	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]C)	C[5,5](C[5]C[5]HH)(N[5]C[5]C)2(O[5]C[5]){1|C<4>,1|H<1>,2|O<1>}	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(CC3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	109.7470	0.034	2	109.7470	0.001	2	109.7470	0.001	2	109.7470	0.001	2	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:3:2:	4:4:3:	4:3:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(COO)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]O)	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(COO){1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	4:3:4:2:	4:3:1:	4:3:	C[5,5]-4:N[5]-3:C-4:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(N[5]C[5]H)(CC[6a]HH)(O[5]C[5])	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(H)	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2H)(N[5]C[5]H)(CC[6a]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(H){2|H<1>,3|C<3>}	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	108.6780	0.000	1	108.6780	0.000	1	108.6780	0.000	1	108.6780	0.000	1	109.7766	1.828	49	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5,6]	N[5,6]	O[5]	4:3:2:1:	4:4:4:	4:2:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	O[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	O[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	112.2240	0.000	1	112.2240	0.000	1	112.2240	0.000	1	112.2240	0.000	1	112.2240	0.000	1	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:3:2:1:	4:4:3:	4:3:	C[5,6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]C[5])(H)	N[5](C[5]C[5,6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]O)	O[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]C[5])(H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	O[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]O){1|C<4>,3|C<3>}	109.3095	0.803	2	109.3095	0.644	2	109.3095	0.644	2	109.3095	0.644	2	108.6633	1.575	3	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:N[5]-3:N[5]-3:O[5]-2:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]S)(O[5]C[5])	N[5](C[5]C[6a]N[5]O[5])(C[5]C[5]O)2	O[5](C[5]C[6a]N[5]2)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]S)(O[5]C[5]){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]O[5])(C[5]C[5]O)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	O[5](C[5]C[6a]N[5]2)(C[5]C[5]C){1|H<1>,1|S<4>,5|C<3>}	107.3710	0.000	1	107.3710	0.000	1	107.3710	0.000	1	107.3710	0.000	1	108.6633	1.575	3	109.8113	2.685	68
474	542	976	0:SP3_SP2_SP3	C[3x5,6,6]	N[5,6]	O[5,5]	4:4:3:2:	4:4:3:	4:4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6,6]-4:C[5,5,6]-4:	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,8|H<1>}	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	110.0655	0.579	2	110.7215	0.301	8	110.5852	0.268	11	110.7502	0.570	12	110.7502	0.570	12	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[3x5,6,6]	N[5,6]	O[5,5]	4:4:3:2:	4:4:3:	4:4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6,6]-4:C[5,5,6]-4:	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,8|H<1>}	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	110.9460	0.342	2	110.7215	0.301	8	110.5852	0.268	11	110.7502	0.570	12	110.7502	0.570	12	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[3x5,6,6]	N[5,6]	O[5,5]	4:4:3:2:	4:4:3:	4:4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6,6]-4:C[5,5,6]-4:	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,3|H<1>,6|C<4>}	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	111.2330	0.000	1	110.7215	0.301	8	110.5852	0.268	11	110.7502	0.570	12	110.7502	0.570	12	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[3x5,6,6]	N[5,6]	O[5,5]	4:4:3:2:	4:4:3:	4:4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6,6]-4:C[5,5,6]-4:	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	111.3270	0.000	1	110.7215	0.301	8	110.5852	0.268	11	110.7502	0.570	12	110.7502	0.570	12	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[3x5,6,6]	N[5,6]	O[5,5]	4:4:3:2:	4:4:3:	4:4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6,6]-4:C[5,5,6]-4:	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,8|H<1>}	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	110.5945	0.189	2	110.7215	0.301	8	110.5852	0.268	11	110.7502	0.570	12	110.7502	0.570	12	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[3x5,6,6]	N[5,6]	O[5,5]	4:4:3:2:	4:4:3:	4:4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6,6]-4:C[5,5,6]-4:	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]S)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|S<1>,3|C<3>,9|H<1>}	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]S){1|C<3>,4|H<1>,5|C<4>}	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	110.2217	0.100	3	110.2217	0.010	3	110.5852	0.268	11	110.7502	0.570	12	110.7502	0.570	12	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[3x5,6,6]	N[5,6]	O[5,5]	4:4:3:2:	4:4:3:	4:4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[3x5,6,6]-4:C[6]-4:C[5]-3:	C[3x5,6,6]-4:C[5,5,6]-4:	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(C[5]C[5]O)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|H<1>,5|C<4>}	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	110.7502	0.570	12	110.7502	0.570	12	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[3x5,6]	N[5,6]	O[5]	4:4:3:2:	4:4:4:	4:3:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3:O[5]-2:	C[3x5,6]-4:C[5]-4:C[6]-4:	C[3x5,6]-4:C[5]-3:	C[3x5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,5,6]C[5]2C[6])(N[5,6]C[5]C[6])(O[5]C[5])	N[5,6](C[3x5,6]C[5,5,6]2O[5])(C[5]C[5]HH)(C[6]C[6]HH)	O[5](C[3x5,6]C[5,5,6]2N[5,6])(C[5]C[5]O)	C[3x5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,5,6]C[5]2C[6])(N[5,6]C[5]C[6])(O[5]C[5]){11|H<1>,1|C<4>,1|O<1>,4|C<3>}	N[5,6](C[3x5,6]C[5,5,6]2O[5])(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	O[5](C[3x5,6]C[5,5,6]2N[5,6])(C[5]C[5]O){1|H<1>,2|C<3>,6|C<4>}	111.5320	0.147	2	111.5320	0.022	2	111.5320	0.022	2	111.5320	0.022	2	111.5320	0.022	2	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[3x5,6]	N[5]	O[5,5]	4:4:2:3:	4:3:3:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:N[5]-3:	C[3x5,6]-4:C[5,6a]-3:C-3:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(N[5]C[5,6a]C)	N[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(COO)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(N[5]C[5,6a]C){3|C<3>,3|H<1>}	N[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5,5,6]C[5,6]2H){1|C<4>,4|C<3>,4|H<1>}	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[3x5]	N[5]	O[5]	4:3:3:2:	4:3:1:	4:4:	C[3x5]-4:C[5]-3:N[5]-3:O[5]-2:	C[3x5]-4:C[5]-3:H-1:	C[3x5]-4:C[5]-4:	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]Si)(N[5]C[5]H)(O[5]C[5])	N[5](C[3x5]C[3x5]C[5]O[5])(C[5]O[5]O)(H)	O[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH)	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]Si)(N[5]C[5]H)(O[5]C[5]){1|O<1>,7|H<1>}	N[5](C[3x5]C[3x5]C[5]O[5])(C[5]O[5]O)(H){1|Si<4>,1|C<3>,3|C<4>}	O[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	112.1730	0.223	2	112.1730	0.050	2	112.1730	0.050	2	112.1730	0.050	2	111.8603	0.318	3	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[3x5]	N[5]	O[5]	4:4:3:2:	4:3:4:	4:4:	C[3x5]-4:C[5,6]-4:N[5]-3:O[5]-2:	C[3x5]-4:C[5,6a]-3:S-4:	C[3x5]-4:C[5]-4:	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5])	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	O[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,3|C<3>,4|C<4>}	O[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	111.2350	0.000	1	111.2350	0.000	1	111.2350	0.000	1	111.2350	0.000	1	111.8603	0.318	3	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5,6,6]	N[5,6]	O[5]	4:4:3:2:	4:4:3:	4:4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5]-2:	C[5,5,6,6]-4:C[5]-4:C[6]-3:	C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(O[5]C[5])	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	O[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5]HH)	C[5,5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(O[5]C[5]){13|H<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	O[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	107.6570	0.000	1	107.6570	0.000	1	107.6570	0.000	1	107.6570	0.000	1	107.6570	0.000	1	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5,6]	N[5,6]	O[5]	3:4:3:2:	4:3:4:	4:4:	N[5,6]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5])	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	O[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	111.5790	0.000	1	111.5790	0.000	1	111.5790	0.000	1	111.5790	0.000	1	111.5790	0.000	1	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5,6]	N[5]	O[5,5]	4:2:3:3:	4:4:3:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:N[5]-3:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(N[5]C[5]2)	N[5](C[5,5,6]C[5,6]2O[5,5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	O[5,5](C[5,5,6]C[5,6]2N[5])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	N[5](C[5,5,6]C[5,6]2O[5,5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	O[5,5](C[5,5,6]C[5,6]2N[5])(C[5,5,6]C[5,6]2C){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	111.9640	0.000	1	111.9640	0.000	1	111.9640	0.000	1	111.9640	0.000	1	111.9640	0.000	1	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5,6]	N[5]	O[5]	4:3:3:2:	4:3:1:	4:4:	C[5,5,6]-4:N[5]-3:C[6]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]H)(C[6]C[5,6]O)(O[5]C[5])	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5,6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]H)(C[6]C[5,6]O)(O[5]C[5]){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5,6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	112.9250	0.000	2	112.9250	0.000	2	112.9250	0.000	2	112.9250	0.000	2	110.7263	3.974	6	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5,6]	N[5]	O[5]	4:3:4:2:	4:3:1:	4:3:	C[5,5,6]-4:N[5]-3:C[6]-4:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]N[6]CH)(O[5]C[5])	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]N[6]CH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	108.5550	0.000	1	108.5550	0.000	1	108.5550	0.000	1	108.5550	0.000	1	110.7263	3.974	6	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5,6]	N[5]	O[5]	4:3:4:2:	4:3:3:	4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HN)(O[5]C[5])	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(COO)	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HN)(O[5]C[5]){3|C<3>,7|H<1>}	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(COO){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	110.7200	0.768	2	110.7200	0.590	2	110.7200	0.590	2	110.7200	0.590	2	110.7263	3.974	6	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5,6]	N[5]	O[5]	4:4:3:2:	4:3:3:	4:4:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5])	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(COO)	O[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5]){1|Cl<1>,1|C<4>,3|C<3>,8|H<1>}	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(COO){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	108.5130	0.000	1	108.5130	0.000	1	108.5130	0.000	1	108.5130	0.000	1	110.7263	3.974	6	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:3:2:2:	4:4:3:	4:4:	N[5]-3:C[5,5]-3:O[5]-2:O-2:	C[5,5]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC)	N[5](C[5,5]C[5,5]O[5]O)(C[6]C[6]2H)(C[5]C[5]O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]N[5]O)	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]O[5]O)(C[6]C[6]2H)(C[5]C[5]O){4|H<1>,5|C<4>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	115.8840	0.000	1	115.8840	0.000	1	115.8840	0.000	1	115.8840	0.000	1	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:3:3:2:	4:3:4:	4:4:	N[5]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[6a]C[5])2(C[5]C[5]O)(O[5]C[5])	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CH)	C[5,5](N[5]C[6a]C[5])2(C[5]C[5]O)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	112.7450	3.476	2	112.7450	12.084	2	112.7450	12.084	2	112.7450	12.084	2	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:4:2:2:	4:3:3:	4:4:	N[5]-3:C[5]-4:N[5]-2:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5])(O[5]C[5])	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5])(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C){1|C<4>,3|H<1>,4|C<3>}	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:4:3:2:	3:4:3:	4:4:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	N[5](C[6a]C[6,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]O)	O[5](C[5,5]C[5]2N[5])(C[5]C[5]C[6]H)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[6a]C[6,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]O){2|C<4>,3|C<3>,6|H<1>}	O[5](C[5,5]C[5]2N[5])(C[5]C[5]C[6]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	108.6210	0.000	1	108.6210	0.000	1	108.6210	0.000	1	108.6210	0.000	1	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:4:3:2:	4:3:3:	4:4:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O)	O[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|C<3>,6|H<1>}	O[5](C[5,5]C[5]2N[5])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	109.0955	0.101	2	109.0955	0.010	2	109.2287	0.058	3	109.7200	1.005	4	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:4:3:2:	4:3:3:	4:4:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)(O[5]C[5])	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O)	O[5](C[5,5]C[5]2N[5])(C[5]C[5a]N[5]C)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	O[5](C[5,5]C[5]2N[5])(C[5]C[5a]N[5]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	109.4950	0.000	1	109.4950	0.000	1	109.2287	0.058	3	109.7200	1.005	4	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:4:3:2:	4:3:3:	4:4:	N[5]-3:C[5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,4|C<3>,5|H<1>}	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	111.1940	0.000	1	111.1940	0.000	1	111.1940	0.000	1	109.7200	1.005	4	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:4:3:2:	4:4:4:	4:3:	C[5,6]-3:C[5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	N[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CCHH)	O[5](C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6]O)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<4>,6|H<1>}	N[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	O[5](C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6]O){2|H<1>,5|C<4>}	111.4310	0.000	1	111.1377	0.088	3	111.1377	0.088	3	111.1377	0.088	3	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:4:3:2:	4:4:4:	4:3:	C[5,6]-3:C[5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	N[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CCHH)	O[5](C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6]O)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	O[5](C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6]O){2|H<1>,5|C<4>}	110.9910	0.218	2	111.1377	0.088	3	111.1377	0.088	3	111.1377	0.088	3	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:2:3:1:	4:3:3:	4:4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCO)	O[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCO){1|H<1>,2|C<4>}	O[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H){2|C<3>,3|O<2>,4|H<1>}	112.4890	0.000	1	112.4890	0.000	1	112.4890	0.000	1	112.4890	0.000	1	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5]-2:N[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(N[5]C[5]H)(CCHH)	N[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]O)(H)	O[5](C[5,5]C[5,5,6]N[5]C)(C[5,6]O[5,6]C[6]C)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(N[5]C[5]H)(CCHH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]O)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O[5](C[5,5]C[5,5,6]N[5]C)(C[5,6]O[5,6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	110.2105	0.005	2	110.2105	0.000	2	110.2105	0.000	2	110.4697	0.202	3	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:2:3:4:	4:3:1:	4:4:	C[5,5]-4:O[5]-2:N[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]H)(CC[6a]HH)	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(H)	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]2O)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(H){1|C<3>,1|H<1>,2|C<4>}	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]2O){2|O<2>,3|H<1>,4|C<3>}	110.9880	0.000	1	110.9880	0.000	1	110.9880	0.000	1	110.4697	0.202	3	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:2:4:3:	4:3:4:	3:4:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:S-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]C[5a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	N[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(SC[6a]OO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,5](C[5]C[5,6a]C[5a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,1|S<2>,3|C<3>}	N[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(SC[6a]OO){3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|O<2>,1|S<4>,4|C<3>,4|H<1>}	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:1:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O[5]C[5])(H){1|N<3>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	112.4540	0.000	1	112.4540	0.000	1	112.4540	0.000	1	112.4540	0.000	1	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:3:	3:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO){1|Br<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){1|H<1>,6|C<3>}	111.0120	0.000	1	111.0120	0.000	1	111.0120	0.000	1	111.0120	0.000	1	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:3:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	111.0150	0.000	1	111.0150	0.000	1	111.0820	0.009	2	112.4715	2.590	4	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:3:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[6a]O)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])(H){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[6a]O){1|H<1>,2|C<4>,3|C<3>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	111.1490	0.000	1	111.1490	0.000	1	111.0820	0.009	2	112.4715	2.590	4	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:3:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H)	N[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	113.8610	0.195	2	113.8610	0.038	2	113.8610	0.038	2	112.4715	2.590	4	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:4:	3:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	111.3300	0.000	1	111.3300	0.000	1	111.3300	0.000	1	111.3300	0.000	1	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:4:	4:4:	C[3x5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]S)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]O[5]H)(SC[6a]OO)	O[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]C[6a]H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]S)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]O[5]H)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]C[6a]H){1|C<4>,1|S<4>,6|C<3>}	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	111.8751	2.238	9	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H)	N[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H){1|C<3>,1|N<3>,4|H<1>}	N[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	111.8751	2.238	9	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	112.4780	0.000	1	112.4780	0.000	1	112.5334	0.561	7	111.8751	2.238	9	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	112.5517	0.192	3	112.5517	0.037	3	112.5334	0.561	7	111.8751	2.238	9	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	113.2335	0.592	2	113.2335	0.350	2	112.5334	0.561	7	111.8751	2.238	9	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	111.1340	0.000	1	111.1340	0.000	1	112.5334	0.561	7	111.8751	2.238	9	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	4:2:3:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-2:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(N[5]N[5]C)(O[5]C[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CC[6a]2)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(N[5]N[5]C)(O[5]C[5])(H){1|O<1>,4|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CC[6a]2){1|H<1>,1|O<1>,2|C<4>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|N<2>,2|C<3>,3|H<1>}	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5,6]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O[5]C[5])(H)	N[5](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(H)	O[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]C)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]C){1|C<4>,1|H<1>,3|C<3>}	113.0130	0.000	1	113.0130	0.000	1	113.0130	0.000	1	113.0130	0.000	1	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[5]H)(O[5]C[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S)(H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<1>,3|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S)(H){1|H<1>,3|C<4>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	113.1200	0.000	1	113.1200	0.000	1	112.5290	0.699	2	112.5290	0.699	2	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5]H)(O[5]C[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]N)(H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5]H)(O[5]C[5])(H){1|C<4>,2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]N)(H){1|H<1>,2|C<4>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	111.9380	0.000	1	111.9380	0.000	1	112.5290	0.699	2	112.5290	0.699	2	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,5]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(N[5]C[5,5]C[6a])(O[5]C[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5,5]N[5,5]S[5])(C[6a]C[6a]2)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]N[5,5]C[5]H)(N[5]C[5,5]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[5,5]N[5,5]S[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	112.5830	0.000	1	112.5830	0.000	1	112.5830	0.000	1	112.8923	0.293	9	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:B[5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|H<1>,2|F<1>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF){1|H<1>,1|N<3>,2|C<3>}	113.9030	0.000	1	113.9030	0.000	1	112.9427	0.372	7	112.8923	0.293	9	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:B[5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]P)	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|P<3>,2|F<1>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]P){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF){1|H<1>,1|N<3>,2|C<3>}	113.0115	0.511	2	113.0115	0.261	2	112.9427	0.372	7	112.8923	0.293	9	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:B[5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]S)	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|S<2>,2|F<1>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]S){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF){1|H<1>,1|N<3>,2|C<3>}	112.6683	0.496	4	112.6683	0.246	4	112.9427	0.372	7	112.8923	0.293	9	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[6a]C[5])(O[5]C[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[6a]C[5])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	112.8923	0.293	9	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	4:3:4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2O)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(CCHH)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2O)(N[5]C[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<2>}	111.1690	0.000	1	111.1690	0.000	1	111.1690	0.000	1	111.1690	0.000	1	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	4:4:3:	4:3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[5]N)(O[5]C[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(NOO)	O[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]O)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[5]N)(O[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(NOO){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]O){1|C<4>,1|H<1>,2|N<3>}	110.7130	0.219	2	110.7130	0.048	2	110.7130	0.048	2	110.7130	0.048	2	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:3:	3:4:4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:C-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO)	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	112.7140	0.000	1	112.7140	0.000	1	112.7140	0.000	1	112.7140	0.000	1	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:3:2:	4:2:4:	4:2:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5])	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3)	O[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[5]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	112.6330	0.000	1	113.0787	1.221	3	113.0787	1.221	3	113.0787	1.221	3	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:3:2:	4:2:4:	4:2:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5])	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3)	O[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5]){3|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3){1|N<2>,3|C<3>,3|H<1>}	O[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[5]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	113.3015	1.464	2	113.0787	1.221	3	113.0787	1.221	3	113.0787	1.221	3	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5])	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH)	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|H<1>,6|C<3>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH){1|C<4>,1|H<1>,5|C<3>}	111.4040	0.123	2	111.4040	0.015	2	111.4040	0.015	2	111.4040	0.015	2	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:3:2:	4:3:4:	4:4:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[6a]C[6a]2)(O[5]C[5])	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH){1|N<3>,1|S<4>,2|C<4>,4|C<3>}	109.7710	0.000	1	109.7710	0.000	1	109.7710	0.000	1	109.7710	0.000	1	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:4:2:	3:4:4:	4:3:	C[5]-4:N[5]-3:C[5]-4:O[5]-2:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:	C[5,5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[5]C[5]HH)(O[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CH3)	O[5](C[5,5]C[5]2N[5])(N[5]C[6a]C[5])	C[5,5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[5]C[5]HH)(O[5]N[5]){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5]2N[5])(N[5]C[6a]C[5]){3|C<4>,3|H<1>,5|C<3>}	106.3930	0.000	1	106.3930	0.000	1	106.3930	0.000	1	106.3930	0.000	1	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:4:3:2:	4:3:1:	4:4:	C[5]-4:C[5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[4,5,6]HH)(C[5]C[5]HH)(N[5]C[5]H)(O[5]C[5])	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)	O[5](C[5,5]C[5]2N[5])(C[5]C[4,5,6]HH)	C[5,5](C[5]C[4,5,6]HH)(C[5]C[5]HH)(N[5]C[5]H)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>}	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H){3|C<4>,5|H<1>}	O[5](C[5,5]C[5]2N[5])(C[5]C[4,5,6]HH){1|C<3>,3|C<4>,5|H<1>}	110.8777	0.292	4	110.8777	0.085	4	110.8777	0.085	4	110.8777	0.085	4	111.5931	2.985	61	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	4:3:2:1:	4:4:4:	4:2:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	O[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	O[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	108.4804	1.541	5	108.9325	3.127	6	108.9325	3.127	6	108.9325	3.127	6	108.9325	3.127	6	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	4:3:2:1:	4:4:4:	4:2:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	O[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){2|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	O[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	111.1930	0.000	1	108.9325	3.127	6	108.9325	3.127	6	108.9325	3.127	6	108.9325	3.127	6	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]O[5]H)(C[5]N[5]H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	110.2307	1.019	6	109.6695	1.821	8	109.6695	1.821	8	108.6259	1.418	27	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]O[5]H)(C[5]N[5]H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.9860	0.000	2	109.6695	1.821	8	109.6695	1.821	8	108.6259	1.418	27	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.1140	0.000	2	107.1140	0.000	2	108.1864	0.652	19	108.6259	1.418	27	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	107.9873	0.023	3	107.9602	0.116	5	108.1864	0.652	19	108.6259	1.418	27	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	107.9195	0.675	2	107.9602	0.116	5	108.1864	0.652	19	108.6259	1.418	27	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<1>}	108.2800	0.000	1	108.6422	0.631	10	108.1864	0.652	19	108.6259	1.418	27	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Rh<8>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	108.5310	0.000	1	108.6422	0.631	10	108.1864	0.652	19	108.6259	1.418	27	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.2380	0.186	4	108.6422	0.631	10	108.1864	0.652	19	108.6259	1.418	27	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.8870	0.635	2	108.6422	0.631	10	108.1864	0.652	19	108.6259	1.418	27	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	106.8920	0.000	1	108.6422	0.631	10	108.1864	0.652	19	108.6259	1.418	27	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Rh<8>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	107.9930	0.000	1	108.6422	0.631	10	108.1864	0.652	19	108.6259	1.418	27	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]Pt)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]Pt){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	107.8210	0.000	1	107.8210	0.000	1	108.1864	0.652	19	108.6259	1.418	27	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	107.2700	0.000	1	107.2700	0.000	1	108.1864	0.652	19	108.6259	1.418	27	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	4:4:4:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S[5])(C[5]C[5]HH)(O[5]C[5])(H)	N[5](C[5]C[5,6a]CO)(C[5]C[5]O[5]H)(S[5]C[5,6a]OO)	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[5]S[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]CO)(C[5]C[5]O[5]H)(S[5]C[5,6a]OO){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH){1|C<4>,1|S<4>,4|H<1>}	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:4:	3:4:3:	4:3:	N[5]-3:C[5]-4:O[5]-2:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]N[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]C[5]O)	O[5](C[5]C[5]N[5]C)(N[5]C[6a]C[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]N[5])(CH3){1|O<1>,3|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O[5](C[5]C[5]N[5]C)(N[5]C[6a]C[5]){2|C<4>,2|H<1>,4|C<3>}	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	4:3:2:1:	4:4:3:	4:3:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5]2)(O[5]N[5])(H)	N[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)	O[5](C[5]C[5]N[5]H)(N[5]C[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]2)(O[5]N[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	O[5](C[5]C[5]N[5]H)(N[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP2_SP3	C[5]	N[5]	O[5]	4:3:2:1:	4:4:3:	4:4:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]BrH)(N[5]C[5]2)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5]H)(C[5]O[5]O)	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]BrH)(N[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5]H)(C[5]O[5]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	111.5140	0.000	1	111.5140	0.000	1	111.5140	0.000	1	111.5140	0.000	1	108.8006	1.559	31	110.6069	3.760	125
474	542	976	0:SP3_SP3_SP3	C[3x5]	N[5]	O[5]	4:3:3:2:	4:3:4:	4:4:	C[3x5]-4:C[5]-3:N[5]-3:O[5]-2:	C[3x5]-4:C[5,6a]-3:C-4:	C[3x5]-4:C[5]-4:	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])	N[5](C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CH3)	O[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH)	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5]){5|H<1>,6|C<3>}	N[5](C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	O[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	113.1130	0.000	1	113.1130	0.000	1	113.1130	0.000	1	113.1130	0.000	1	113.1130	0.000	1	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5,6]	N[5,6]	O[5]	4:3:2:3:	4:4:3:	4:4:	C[5,5]-4:N[5,6]-3:O[5]-2:C[6]-3:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O)	N[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	O[5](C[5,5,6]C[5,5]N[5,6]C[6])2	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	N[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O[5](C[5,5,6]C[5,5]N[5,6]C[6])2{2|C<3>,2|H<1>,2|N<3>,2|O<1>,4|C<4>}	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:2:	4:4:4:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)	O[5](C[5,5]N[5,5]C[5]O[5])(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,5]N[5,5]C[5]O[5])(C[5]C[5]HH){3|C<4>,4|H<1>}	110.3910	2.225	4	110.3929	3.612	8	110.3929	3.612	8	110.3929	3.612	8	110.3929	3.612	8	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:2:	4:4:4:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)	O[5](C[5,5]N[5,5]C[5]O[5])(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5]N[5,5]C[5]O[5])(C[5]C[5]HH){3|C<4>,4|H<1>}	110.3948	1.865	4	110.3929	3.612	8	110.3929	3.612	8	110.3929	3.612	8	110.3929	3.612	8	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	3:3:3:2:	3:4:1:	4:4:	C[5]-3:N[5]-3:N[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(N[5]C[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(H)	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CC)	C[5,5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(N[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CC){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	111.4328	1.784	19	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	3:3:3:2:	4:4:4:	4:4:	N[5]-3:N[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[5]C)3(O[5]C[5])	N[5](C[5,5]N[5]2O[5])(C[5]C[6a]C[5]H)(CH3)	O[5](C[5,5]N[5]3)(C[5]C[5]CH)	C[5,5](N[5]C[5]C)3(O[5]C[5]){4|C<3>,4|H<1>}	N[5](C[5,5]N[5]2O[5])(C[5]C[6a]C[5]H)(CH3){1|H<1>,3|C<3>,4|C<4>}	O[5](C[5,5]N[5]3)(C[5]C[5]CH){1|C<3>,1|H<1>,5|C<4>}	112.4215	1.306	2	112.4215	1.706	2	112.4215	1.706	2	112.4215	1.706	2	111.4328	1.784	19	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	3:4:3:2:	4:3:2:	4:4:	N[5]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[6a]O[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH)	C[5,5](N[5]C[6a]O[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,4|C<3>,4|H<1>}	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	113.7480	0.000	1	113.7480	0.000	1	113.7480	0.000	1	113.7480	0.000	1	111.4328	1.784	19	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	4:2:3:1:	4:4:4:	4:4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CC[6a]HH)	O[5](C[5,5]C[5,5]N[5]H)2	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CC[6a]HH){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,5]C[5,5]N[5]H)2{2|C<3>,6|C<4>}	111.2730	0.779	3	111.2730	0.607	3	111.2076	0.312	5	111.2076	0.312	5	111.4328	1.784	19	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	4:2:3:1:	4:4:4:	4:4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CH3)	O[5](C[5,5]C[5,5]N[5]H)2	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,5]C[5,5]N[5]H)2{2|C<3>,6|C<4>}	111.1095	0.009	2	111.1095	0.000	2	111.2076	0.312	5	111.2076	0.312	5	111.4328	1.784	19	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H){4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	113.9320	0.000	1	113.9320	0.000	1	112.1325	6.476	2	111.7587	2.503	4	111.4328	1.784	19	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.3330	0.000	1	110.3330	0.000	1	112.1325	6.476	2	111.7587	2.503	4	111.4328	1.784	19	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	111.8720	0.000	1	111.8720	0.000	1	111.3850	0.474	2	111.7587	2.503	4	111.4328	1.784	19	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	4:3:2:1:	3:4:4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	110.8980	0.000	1	110.8980	0.000	1	111.3850	0.474	2	111.7587	2.503	4	111.4328	1.784	19	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	4:3:2:2:	4:4:1:	4:3:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:	C[5,5](C[5]C[5]CC)(N[5]C[5]H)(O[5]C[5])(O[5]N[5])	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)	O[5](C[5,5]C[5]N[5]O[5])(N[5]C[5]C)	C[5,5](C[5]C[5]CC)(N[5]C[5]H)(O[5]C[5])(O[5]N[5]){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,3|C<4>}	O[5](C[5,5]C[5]N[5]O[5])(N[5]C[5]C){1|C<3>,2|H<1>,4|C<4>}	108.0650	0.000	1	108.0650	0.000	1	108.0650	0.000	1	108.0650	0.000	1	111.4328	1.784	19	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	4:3:2:3:	3:4:4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:C-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO)	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	111.1925	0.115	2	111.1925	0.013	2	111.1925	0.013	2	111.1925	0.013	2	111.4328	1.784	19	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	4:3:2:4:	3:4:1:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O[5]C[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(H)	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(H){1|H<1>,2|C<4>,3|C<3>}	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH){3|C<3>,3|H<1>}	111.2400	0.000	1	111.2400	0.000	1	111.2400	0.000	1	111.2400	0.000	1	111.4328	1.784	19	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	4:3:2:4:	4:4:4:	4:4:	C[3,5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3,5,5]C[3,5]2C[6a])(N[5]C[5]S)(O[5]C[5])(CH3)	N[5](C[5,5]C[3,5,5]O[5]C)(C[5]C[3,5]HH)(SC[6a]OO)	O[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH)	C[5,5](C[3,5,5]C[3,5]2C[6a])(N[5]C[5]S)(O[5]C[5])(CH3){2|C<3>,6|H<1>}	N[5](C[5,5]C[3,5,5]O[5]C)(C[5]C[3,5]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	O[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	111.4328	1.784	19	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	4:3:3:2:	4:3:4:	4:4:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5])	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(CH3)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]CO)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]CO){2|C<4>,2|H<1>,4|C<3>}	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	111.4328	1.784	19	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,6,6]	N[5,6]	O[5]	3:4:4:2:	4:4:4:	4:4:	N[5,6]-3:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5])	N[5,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)	O[5](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[5]C[5,6,6]HH)	C[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5]){1|O<2>,6|H<1>,7|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH){1|O<2>,6|H<1>,7|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[5]C[5,6,6]HH){1|H<1>,1|O<2>,7|C<4>}	111.5670	0.107	2	111.5670	0.012	2	111.5670	0.012	2	111.5670	0.012	2	111.5670	0.012	2	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:1:	4:3:4:	4:4:	N[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H)	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6,6]CH)	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H){1|H<1>,3|C<3>,4|C<4>}	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6,6]CH){1|C<3>,2|H<1>,3|C<4>}	110.7380	0.171	2	110.7380	0.029	2	110.7380	0.029	2	110.7380	0.029	2	112.1347	5.867	3	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:1:	4:4:2:	4:4:	N[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)	C[5,6](N[5,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(O[5]C[5])(H){3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5]){1|C<3>,2|C<4>,7|H<1>}	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,3|H<1>}	114.9280	0.000	1	114.9280	0.000	1	114.9280	0.000	1	114.9280	0.000	1	112.1347	5.867	3	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5]	N[5]	O[5]	4:3:2:1:	4:4:2:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]CC)(O[5]C[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]CC)(O[5]C[5]){2|C<4>,2|O<2>,4|H<1>}	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H){2|C<4>,3|H<1>,4|O<2>}	115.4700	0.000	1	115.4700	0.000	1	113.0590	18.254	3	113.0590	18.254	3	113.0590	18.254	3	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5]	N[5]	O[5]	4:3:2:1:	4:4:2:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5]){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H){2|C<4>,3|H<1>,4|O<2>}	108.1260	0.000	1	108.1260	0.000	1	113.0590	18.254	3	113.0590	18.254	3	113.0590	18.254	3	111.4042	3.593	37
474	542	976	0:SP3_SP3_SP3	C[5]	N[5]	O[5]	4:3:2:1:	4:4:2:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|O<2>,4|C<4>,4|H<1>}	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H){2|C<4>,3|H<1>,4|O<2>}	115.5810	0.000	1	115.5810	0.000	1	113.0590	18.254	3	113.0590	18.254	3	113.0590	18.254	3	111.4042	3.593	37
474	542	976	5:SP3_SP2_SP2	C[5,5]	N[5,5]	O[5]	3:2:4:1:	3:4:4:	3:4:	N[5,5]-3:O[5]-2:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)	C[5,5](N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	106.0715	4.053	2	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5,5]	N[5,5]	O[5]	3:4:2:4:	4:4:3:	4:3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<4>,1|H<1>,2|O<1>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>}	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	104.6480	0.000	1	104.6480	0.000	1	104.6480	0.000	1	104.6480	0.000	1	106.0715	4.053	2	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:2:2:2:	3:4:4:	3:4:	N[5]-3:O[5]-2:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](N[5]C[5,6a]C)(O[5]C[5,6a])3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]2)	C[5,5](N[5]C[5,6a]C)(O[5]C[5,6a])3{4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3){1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]2){2|C<4>,4|C<3>}	106.4550	0.000	1	106.4550	0.000	1	106.4550	0.000	1	106.4550	0.000	1	101.8192	9.753	4	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:3:3:2:	4:2:3:	4:3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]N[5]C)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CCO)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]N[5]C)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CCO){5|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5]){7|C<3>}	99.9899	0.000	1	99.9899	0.000	1	100.2740	0.303	3	100.2740	0.303	3	101.8192	9.753	4	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:3:3:2:	4:2:3:	4:3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]N[5]C)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CC[6a]O)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]N[5]C)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CC[6a]O){5|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5]){7|C<3>}	99.9240	0.000	1	99.9240	0.000	1	100.2740	0.303	3	100.2740	0.303	3	101.8192	9.753	4	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5,5]	N[5]	O[5]	3:3:3:2:	4:2:3:	4:3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]N[5]C)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]N[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<3>}	100.9080	0.000	1	100.9080	0.000	1	100.2740	0.303	3	100.2740	0.303	3	101.8192	9.753	4	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5,6,6]	N[5,6,6]	O[5]	3:4:2:4:	4:4:3:	4:3:	N[5,6,6]-3:C[3x6]-4:O[5]-2:C-4:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(O[5]C[5,6a])(CH3)	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a])	O[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(O[5]C[5,6a])(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	O[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	106.7095	0.186	2	106.7095	0.035	2	106.7095	0.035	2	106.7095	0.035	2	106.6200	0.041	3	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5,6,6]	N[5,6,6]	O[5]	3:4:3:2:	4:4:3:	4:3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:O[5]-2:	C[5,6,6]-4:C[3x6]-4:C[5,6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(O[5]C[5,6a])	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])	O[5](C[5,6,6]N[5,6,6]C[3x6]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|H<1>,6|C<3>}	O[5](C[5,6,6]N[5,6,6]C[3x6]C[6a])(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	106.4410	0.000	1	106.4410	0.000	1	106.4410	0.000	1	106.4410	0.000	1	106.6200	0.041	3	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5,6]	N[5,5]	O[5]	3:4:4:2:	4:3:4:	4:2:	N[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,6]-4:N[5]-2:	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]N[5])	N[5,5](C[5,6]C[6]2O[5])(C[5,5]N[5]2)(C[5]C[5]HH)	O[5](C[5,6]N[5,5]C[6]2)(N[5]C[5,5])	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]N[5]){1|N<3>,2|C<4>,6|H<1>}	N[5,5](C[5,6]C[6]2O[5])(C[5,5]N[5]2)(C[5]C[5]HH){2|C<4>,7|H<1>}	O[5](C[5,6]N[5,5]C[6]2)(N[5]C[5,5]){1|N<3>,3|C<4>,4|H<1>}	99.3793	0.000	2	99.3793	0.000	2	99.3793	0.000	2	99.3793	0.000	2	99.3793	0.000	2	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5,6]	N[5,6]	O[5]	3:3:3:2:	4:3:2:	4:3:	N[5,6]-3:C[6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5]-3:N[6]-2:	C[5,6]-4:C[5]-3:	C[5,6](N[5,6]C[5]N[6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5])(N[6]C[5,6])	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]O)	C[5,6](N[5,6]C[5]N[6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5])(N[6]C[5,6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]O){1|H<1>,1|N<2>,4|C<3>}	103.0590	0.000	1	103.0590	0.000	1	103.0590	0.000	1	103.0590	0.000	1	102.5843	0.907	3	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5,6]	N[5,6]	O[5]	3:4:2:4:	4:3:4:	4:3:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	N[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6a]O)(C[5]C[5]CC)	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|O<1>}	N[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6a]O)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	103.2060	0.000	1	103.2060	0.000	1	103.2060	0.000	1	103.2060	0.000	1	102.5843	0.907	3	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5,6]	N[5,6]	O[5]	3:4:2:4:	4:4:3:	4:3:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3)	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]O)	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	101.4880	0.000	1	101.4880	0.000	1	101.4880	0.000	1	101.4880	0.000	1	102.5843	0.907	3	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5,6]	N[5]	O[5]	3:4:3:2:	4:3:3:	4:2:	N[5]-3:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:N[5]-2:	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5])	N[5](C[5,6]C[6]2O[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	O[5](C[5,6]C[6]2N[5])(N[5]C[5])	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5]){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,6]C[6]2O[5])(C[5]C[6]N[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<4>,5|C<3>}	O[5](C[5,6]C[6]2N[5])(N[5]C[5]){1|H<1>,3|C<3>,3|C<4>}	101.6500	0.000	1	101.6500	0.000	1	101.6500	0.000	1	101.6500	0.000	1	102.3144	0.142	5	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5,6]	N[5]	O[5]	4:3:2:2:	4:3:1:	4:3:	C[6]-4:N[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)(N[5]C[5]O)(O[5]C[5])(O[6]C[6])	N[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(O)	O[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]C)	C[5,6](C[6]C[6]HH)(N[5]C[5]O)(O[5]C[5])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	N[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	102.5410	0.051	2	102.5410	0.003	2	102.5410	0.003	2	102.5410	0.003	2	102.3144	0.142	5	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5,6]	N[5]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[6]-4:C[6]-4:N[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O)(O[5]C[5])	N[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(O)	O[5](C[5,6]C[6]2N[5])(C[5]C[5]C)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[6]2N[5])(C[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	102.4160	0.000	1	102.4160	0.000	1	102.4200	0.000	2	102.4200	0.000	2	102.3144	0.142	5	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5,6]	N[5]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[6]-4:C[6]-4:N[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(N[5]C[5]O)(O[5]C[5])	N[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(O)	O[5](C[5,6]C[6]2N[5])(C[5]C[5]C)	C[5,6](C[6]C[6]HH)2(N[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>,4|H<1>}	O[5](C[5,6]C[6]2N[5])(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	102.4240	0.000	1	102.4240	0.000	1	102.4200	0.000	2	102.4200	0.000	2	102.3144	0.142	5	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:3:	4:3:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CCl3)(H)	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]N[5,5]CH)(C[5]C[5,5]O)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CCl3)(H){1|H<1>,2|C<4>,2|O<1>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O){1|O<1>,4|H<1>}	O[5](C[5]N[5,5]CH)(C[5]C[5,5]O){1|C<3>,1|C<4>,1|H<1>}	105.8100	0.000	1	105.8100	0.000	1	105.8100	0.000	1	105.8100	0.000	1	105.8100	0.000	1	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:2:1:1:	4:4:3:	4:3:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	N[5](C[5]C[5]CC)(C[5]O[5]HH)(COO)	O[5](C[5]N[5]HH)(C[5]C[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]O[5]HH)(COO){1|O<1>}	O[5](C[5]N[5]HH)(C[5]C[5]O){1|C<3>,2|C<4>}	104.6560	0.000	1	104.6560	0.000	1	104.8245	0.036	4	104.8245	0.036	4	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:2:1:1:	4:4:3:	4:3:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)	O[5](C[5]N[5]HH)(C[5]C[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO){1|O<1>}	O[5](C[5]N[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	104.8807	0.186	3	104.8807	0.034	3	104.8245	0.036	4	104.8245	0.036	4	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:2:4:1:	3:4:1:	4:3:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]O)(O[5]C[5])(CH3)(H)	N[5](C[5]C[6a]C[5])(C[5]O[5]CH)(O)	O[5](C[5]N[5]CH)(C[5]C[5]O)	C[5](N[5]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	N[5](C[5]C[6a]C[5])(C[5]O[5]CH)(O){1|O<1>,2|C<3>}	O[5](C[5]N[5]CH)(C[5]C[5]O){1|C<3>,1|O<1>}	102.6915	0.412	2	102.6915	0.170	2	102.6915	0.170	2	102.6915	0.170	2	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:2:4:1:	4:4:3:	4:3:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)	O[5](C[5]N[5]CH)(C[5]C[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO){1|O<1>}	O[5](C[5]N[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	103.0660	0.000	1	103.0660	0.000	1	103.0660	0.000	1	103.0660	0.000	1	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:2:4:4:	3:3:4:	4:2:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)	O[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3){3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|H<1>,1|N<2>,4|C<3>}	O[5](C[5]N[5]CC)(N[5]C[5]){2|C<3>}	102.0570	0.000	1	102.0570	0.000	1	101.4050	0.352	3	101.4050	0.352	3	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:2:4:4:	3:3:4:	4:2:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)	O[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3){3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|H<1>,1|N<3>,4|C<3>}	O[5](C[5]N[5]CC)(N[5]C[5]){2|C<3>}	101.0790	0.259	2	101.0790	0.067	2	101.4050	0.352	3	101.4050	0.352	3	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:2:4:4:	3:4:4:	3:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	104.0390	0.000	1	104.0390	0.000	1	104.0390	0.000	1	104.0390	0.000	1	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:2:4:4:	4:2:3:	3:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-2:C-3:	C[5]-3:C[5]-4:	C[5](N[5]N[5]C)(O[5]C[5])(CH3)2	N[5](C[5]O[5]CC)(N[5]C[5])(CCO)	O[5](C[5]C[6a]N[5])(C[5]N[5]CC)	C[5](N[5]N[5]C)(O[5]C[5])(CH3)2{1|C<3>}	N[5](C[5]O[5]CC)(N[5]C[5])(CCO){1|C<3>}	O[5](C[5]C[6a]N[5])(C[5]N[5]CC){1|N<2>,2|C<3>}	99.4903	0.000	1	99.4903	0.000	1	99.4903	0.000	1	99.4903	0.000	1	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CC)(C[5]O[5]CC)(CC[6a]O)	O[5](C[5]N[5]CC)(C[5]C[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]O[5]CC)(CC[6a]O){1|O<1>}	O[5](C[5]N[5]CC)(C[5]C[5]O){1|C<3>,2|C<4>}	102.4451	0.213	7	102.4451	0.046	7	102.4472	0.117	19	102.4472	0.117	19	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O)	O[5](C[5]N[5]CC)(C[5]C[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O){1|O<1>}	O[5](C[5]N[5]CC)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	102.4483	0.408	12	102.4483	0.166	12	102.4472	0.117	19	102.4472	0.117	19	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:3:2:1:	3:4:3:	3:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH){1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H){1|H<1>,5|C<3>}	103.7740	0.000	1	104.0105	0.112	2	104.0105	0.112	2	104.0105	0.112	2	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:3:2:1:	3:4:3:	3:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH){1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H){1|H<1>,5|C<3>}	104.2470	0.000	1	104.0105	0.112	2	104.0105	0.112	2	104.0105	0.112	2	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:3:2:1:	4:2:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){1|N<2>,4|C<3>}	100.6290	0.000	1	100.6690	0.211	4	100.6690	0.211	4	100.6690	0.211	4	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:3:2:1:	4:2:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){5|C<3>}	101.3160	0.000	1	100.6690	0.211	4	100.6690	0.211	4	100.6690	0.211	4	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:3:2:1:	4:2:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){5|C<3>}	100.3655	0.166	2	100.6690	0.211	4	100.6690	0.211	4	100.6690	0.211	4	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:3:2:1:	4:3:4:	4:2:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH)	O[5](C[5]C[6a]N[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH){4|C<3>}	O[5](C[5]C[6a]N[5]H)(N[5]C[5]){1|C<4>,3|C<3>}	103.0830	0.000	1	103.0830	0.000	1	103.0830	0.000	1	103.0830	0.000	1	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:3:2:1:	4:4:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO){1|O<1>,2|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	103.1170	0.000	1	103.1170	0.000	1	103.1170	0.000	1	103.1170	0.000	1	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:3:2:4:	4:2:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3)	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO)	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO){3|C<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){5|C<3>}	99.7873	0.000	1	99.3360	0.066	5	99.3360	0.066	5	99.3360	0.066	5	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:3:2:4:	4:2:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3)	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO)	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3){2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO){3|C<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){5|C<3>}	99.2232	0.056	4	99.3360	0.066	5	99.3360	0.066	5	99.3360	0.066	5	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:3:2:4:	4:3:1:	4:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)(O[5]C[5])(CCHH)	N[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(O)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(O[5]C[5])(CCHH){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(O){3|C<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	102.5500	0.000	1	102.5500	0.000	1	102.5500	0.000	1	102.5500	0.000	1	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:3:2:4:	4:3:3:	4:2:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH)	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	O[5](C[5]C[6a]N[5]C)(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH){2|H<1>,5|C<3>}	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<3>,6|C<3>}	O[5](C[5]C[6a]N[5]C)(N[5]C[5]){4|C<3>}	101.7660	0.000	1	101.7660	0.000	1	101.7660	0.000	1	101.7660	0.000	1	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	3:3:4:2:	4:2:3:	4:3:	C[6a]-3:N[5]-3:C-4:O[5]-2:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(CN[5a]HH)(O[5]C[5])	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO)	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(CN[5a]HH)(O[5]C[5]){2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO){3|C<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){5|C<3>}	100.8150	0.000	1	100.8150	0.000	1	100.8150	0.000	1	100.8150	0.000	1	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[6]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(N[5]C[5]O)(O[5]C[5])(H)	N[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(O)	O[5](C[5]C[6]N[5]H)(C[5]C[5]O)	C[5](C[6]C[6]2H)(N[5]C[5]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	103.2890	0.000	1	103.2890	0.000	1	103.2890	0.000	1	103.2890	0.000	1	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP2	C[5]	N[5]	O[5]	4:3:2:1:	4:4:3:	4:3:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(CCO)	O[5](C[5]C[5]N[5]H)(C[5]C[5]O)	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	N[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(CCO){1|Fe<10>,1|O<1>,2|C<4>}	O[5](C[5]C[5]N[5]H)(C[5]C[5]O){1|Fe<10>,1|C<3>,4|C<4>}	103.7205	0.183	2	103.7205	0.034	2	103.7205	0.034	2	103.7205	0.034	2	102.2285	2.311	50	102.4943	3.792	70
474	542	976	5:SP3_SP2_SP3	C[3x5,6]	N[3x5,6]	O[5,6]	4:3:2:3:	4:4:4:	4:3:	C[5,5,6,6]-4:N[3x5,6]-3:O[5,6]-2:C[6a]-3:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:	C[3x5,6]-4:C[5,6]-3:	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(N[3x5,6]C[5,5,6,6]C[5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	N[3x5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[6a])(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6]HH)	O[5,6](C[3x5,6]C[5,5,6,6]N[3x5,6]C[6a])(C[5,6]C[5,5,6,6]O)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(N[3x5,6]C[5,5,6,6]C[5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	N[3x5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[6a])(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6]HH){1|O<1>,2|C<3>,5|H<1>}	O[5,6](C[3x5,6]C[5,5,6,6]N[3x5,6]C[6a])(C[5,6]C[5,5,6,6]O){1|H<1>,2|C<3>,4|C<4>}	102.9210	0.000	1	102.9210	0.000	1	102.9210	0.000	1	102.9210	0.000	1	102.9210	0.000	1	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5,3x6]	N[5,3x6]	O[5,5]	4:3:2:3:	4:4:3:	4:4:	C[5,6,6]-4:N[5,3x6]-3:O[5,5]-2:N[6]-3:	C[5,5,3x6]-4:C[6,6]-4:C[5,6]-3:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H)	N[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]N[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,5,6]O)	O[5,5](C[5,5,3x6]C[5,6,6]N[5,3x6]N[6])(C[5,5,6]C[5,6]2C)	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]N[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	O[5,5](C[5,5,3x6]C[5,6,6]N[5,3x6]N[6])(C[5,5,6]C[5,6]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	100.7090	0.000	1	100.7090	0.000	1	100.7090	0.000	1	100.7090	0.000	1	100.7090	0.000	1	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5,3x6]	N[5,6,6]	O[5,5]	4:3:2:4:	4:3:4:	4:4:	C[5,5,6,6]-4:N[5,6,6]-3:O[5,5]-2:C[6,6]-4:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6])(N[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[6,6]C[6]2C)	N[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5,5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)	O[5,5](C[5,5,3x6]C[5,5,6,6]N[5,6,6]C[6,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6])(N[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[6,6]C[6]2C){1|C<4>,2|N<3>,2|O<1>,4|C<3>,6|H<1>}	N[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5,5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH){2|H<1>,3|C<3>,4|C<4>}	O[5,5](C[5,5,3x6]C[5,5,6,6]N[5,6,6]C[6,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	101.1070	0.000	1	101.1070	0.000	1	101.1070	0.000	1	101.1070	0.000	1	101.1070	0.000	1	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5,6]	N[5,6]	O[5,5]	4:2:3:4:	4:3:4:	4:4:	C[5,5,6]-4:O[5,5]-2:N[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3)	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	100.6485	0.120	2	100.6485	0.014	2	100.6485	0.014	2	100.6485	0.014	2	100.6485	0.014	2	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5,6]	N[5,6]	O[5]	3:3:2:2:	4:3:4:	4:2:	N[5,6]-3:N[5,6]-3:O[5]-2:S[5]-2:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5,5,6]-4:N[5]-2:	C[5,5,6](N[5,6]C[5]C[6])2(O[5]N[5])(S[5]C[5])	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[5]C[6a]N[5])(C[6]C[6]HH)	O[5](C[5,5,6]N[5,6]2S[5])(N[5]C[5])	C[5,5,6](N[5,6]C[5]C[6])2(O[5]N[5])(S[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[5]C[6a]N[5])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	O[5](C[5,5,6]N[5,6]2S[5])(N[5]C[5]){2|C<4>,3|C<3>}	103.5840	0.000	1	103.5840	0.000	1	103.5840	0.000	1	103.5840	0.000	1	103.5840	0.000	1	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:2:3:4:	4:4:2:	4:4:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:C[5,5]-4:	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){1|N<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,1|N<3>,2|H<1>,3|C<4>}	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C){1|Pt<4>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	105.6930	0.204	2	105.8090	0.061	3	105.8090	0.061	3	105.8090	0.061	3	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:2:3:4:	4:4:2:	4:4:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:C[5,5]-4:	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){2|H<1>,3|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,2|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C){1|Pt<4>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	106.0410	0.000	1	105.8090	0.061	3	105.8090	0.061	3	105.8090	0.061	3	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:3:2:2:	4:3:4:	4:2:	C[6a]-3:N[5,5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:N[5]-2:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5])	N[5,5](C[5,5]C[6a]O[5]2)(C[5]C[6a]N[5])(C[5]C[5]HH)	O[5](C[5,5]N[5,5]C[6a]O[5])(N[5]C[5])	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5]){3|C<3>,6|H<1>}	N[5,5](C[5,5]C[6a]O[5]2)(C[5]C[6a]N[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	O[5](C[5,5]N[5,5]C[6a]O[5])(N[5]C[5]){2|C<4>,3|C<3>}	103.7630	0.000	1	103.7630	0.000	1	103.7630	0.000	1	103.7630	0.000	1	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:3:2:4:	4:4:2:	4:4:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3)	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5])	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3){1|N<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|N<3>,2|H<1>}	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH){1|Pt<4>,1|C<3>,1|O<2>,2|C<4>}	106.6430	0.000	1	106.9255	0.160	2	106.9255	0.160	2	106.9255	0.160	2	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:3:2:4:	4:4:2:	4:4:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3)	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5])	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3){2|H<1>,3|C<4>}	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|C<4>,2|H<1>}	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH){1|Pt<4>,1|C<3>,1|O<2>,2|C<4>}	107.2080	0.000	1	106.9255	0.160	2	106.9255	0.160	2	106.9255	0.160	2	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:3:2:4:	4:4:3:	4:4:	N[5,5]-3:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,4|H<1>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	104.5790	0.000	1	104.5790	0.000	1	104.5790	0.000	1	104.5790	0.000	1	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:3:3:2:	4:3:4:	4:3:	C[5,6a]-3:C[6a]-3:N[5,5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])	N[5,5](C[5,5]C[5,6a]C[6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	O[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5]){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|O<1>,4|C<3>}	O[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,5|C<3>}	103.6060	0.000	1	103.6060	0.000	1	103.6060	0.000	1	103.6060	0.000	1	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:3:4:2:	4:3:4:	4:2:	C[5a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:N[5]-2:	C[5,5](C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]N[5])	N[5,5](C[5,5]C[5a]C[5]O[5])(C[5]C[6a]N[5])(C[5]C[5]HH)	O[5](C[5,5]N[5,5]C[5a]C[5])(N[5]C[5])	C[5,5](C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]N[5]){1|N<2>,2|C<3>,4|H<1>}	N[5,5](C[5,5]C[5a]C[5]O[5])(C[5]C[6a]N[5])(C[5]C[5]HH){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	O[5](C[5,5]N[5,5]C[5a]C[5])(N[5]C[5]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	104.7530	0.000	1	104.7530	0.000	1	104.7530	0.000	1	104.7530	0.000	1	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:3:4:2:	4:3:4:	4:4:	C[5,6a]-3:N[5,5]-3:C-4:O[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(CC[5a]HH)(O[5]C[5])	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH)	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(CC[5a]HH)(O[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH){2|C<3>,2|H<1>}	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH){2|H<1>,3|C<3>}	104.2230	0.000	1	104.2230	0.000	1	104.2230	0.000	1	104.2230	0.000	1	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:3:4:2:	4:4:3:	4:4:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]C[5]O)	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,8|H<1>}	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	103.7590	0.000	1	103.7590	0.000	1	103.5836	0.176	5	103.5836	0.176	5	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:3:4:2:	4:4:3:	4:4:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O)	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,7|H<1>}	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O){4|C<3>,6|H<1>}	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	103.8875	0.162	2	103.8875	0.026	2	103.5836	0.176	5	103.5836	0.176	5	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:3:4:2:	4:4:3:	4:4:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O)	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O){1|N<2>,3|C<3>,6|H<1>}	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	103.1920	0.395	2	103.1920	0.156	2	103.5836	0.176	5	103.5836	0.176	5	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:1:	4:4:3:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]O)	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]O){4|C<3>,4|H<1>}	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	103.0210	0.000	1	103.0210	0.000	1	103.0210	0.000	1	103.0210	0.000	1	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:4:	4:3:3:	4:3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C)(C[5]O[5]O)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,2|O<1>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>}	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O){1|C<4>,2|C<3>,2|O<2>}	104.4420	0.000	1	104.4420	0.000	1	104.4420	0.000	1	104.4420	0.000	1	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:4:	4:4:3:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CC)(C[5]O[5]O)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CC)(C[5]O[5]O){1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>}	103.5135	0.095	2	103.5135	0.009	2	103.5345	0.411	4	103.5345	0.411	4	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:4:	4:4:3:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|O<1>,3|H<1>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	102.7740	0.000	1	102.7740	0.000	1	103.5345	0.411	4	103.5345	0.411	4	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:4:	4:4:3:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C[6]C)(C[5]O[5]O)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C[6]C)(C[5]O[5]O){2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>}	104.3370	0.000	1	104.3370	0.000	1	103.5345	0.411	4	103.5345	0.411	4	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:4:	4:4:4:	4:3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O[5]C[5])(CF3)	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O[5]C[5])(CF3){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	106.9935	0.252	2	106.9935	0.064	2	107.0812	0.032	4	107.0812	0.032	4	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:4:	4:4:4:	4:3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(CF3)	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(CF3){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	107.1690	0.033	2	107.1690	0.001	2	107.0812	0.032	4	107.0812	0.032	4	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5,5]	O[5]	6:3:3:2:	4:3:4:	4:4:	C[3x3,3x5,12x6]-6:C[5,6a]-3:N[5,5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(O[5]C[5])	N[5,5](C[5,5]C[3x3,3x5,12x6]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH)	O[5](C[5,5]C[3x3,3x5,12x6]C[5,6a]N[5,5])(C[5]C[5]HH)	C[5,5](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(O[5]C[5]){1|O<1>,2|C<3>,5|B<6>,9|H<1>}	N[5,5](C[5,5]C[3x3,3x5,12x6]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH){1|Co<10>,1|C<6>,2|C<3>,2|H<1>,3|B<6>}	O[5](C[5,5]C[3x3,3x5,12x6]C[5,6a]N[5,5])(C[5]C[5]HH){1|Co<10>,1|C<6>,2|H<1>,3|B<6>,3|C<3>}	104.0990	0.000	1	104.0990	0.000	1	104.0990	0.000	1	104.0990	0.000	1	104.7748	2.227	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:3:3:2:	4:3:2:	4:4:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(N[5]C[5]O)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OC)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(N[5]C[5]O)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OC){1|O<2>,2|C<4>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC){1|O<1>,2|O<2>,3|C<3>}	101.6360	0.000	1	101.6360	0.000	1	101.6360	0.000	1	101.6360	0.000	1	103.8691	2.478	14	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:3:3:2:	4:3:4:	4:4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){3|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	105.0700	0.000	1	105.0700	0.000	1	105.0697	0.014	3	105.0697	0.014	3	103.8691	2.478	14	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:3:3:2:	4:3:4:	4:4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	105.0695	0.168	2	105.0695	0.028	2	105.0697	0.014	3	105.0697	0.014	3	103.8691	2.478	14	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:3:3:2:	4:4:3:	4:4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]O[6])(COO)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]O[6])(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	103.9570	0.000	1	103.9570	0.000	1	103.9570	0.000	1	103.8005	0.049	2	103.8691	2.478	14	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:3:3:2:	4:4:3:	4:4:	N[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5]2O[5])(COO)	O[5](C[5,5]C[5]2N[5])(C[5]C[5,6]HH)	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5]2O[5])(COO){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5]2N[5])(C[5]C[5,6]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	103.6440	0.000	1	103.6440	0.000	1	103.6440	0.000	1	103.8005	0.049	2	103.8691	2.478	14	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:4:3:2:	4:3:2:	4:4:	C[5,6a]-3:C[3,5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]O[3]O[5])(N[5]C[5]O)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]O)(OC)	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]O[3]O[5])(N[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]O)(OC){2|C<3>,2|O<2>,3|C<4>}	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,3|O<2>}	102.0600	0.238	2	102.0600	0.056	2	102.0600	0.056	2	101.7977	0.235	3	103.8691	2.478	14	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:4:3:2:	4:3:2:	4:4:	C[5,6a]-3:C[5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]O)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OH)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]O)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	101.2730	0.000	1	101.2730	0.000	1	101.2730	0.000	1	101.7977	0.235	3	103.8691	2.478	14	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	3:4:3:2:	4:4:3:	4:4:	N[5]-3:C[5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HO)(CCO)	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HO)(CCO){1|C<4>,2|H<1>,4|C<3>}	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	103.0310	0.000	1	103.0310	0.000	1	103.0310	0.000	1	103.0310	0.000	1	103.8691	2.478	14	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:2:	4:3:4:	4:4:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5]N[5]CH)(N[5]C[5]C)(O[5]C[5])2	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H)	C[5,5](C[5]N[5]CH)(N[5]C[5]C)(O[5]C[5])2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	105.3180	0.506	2	105.3180	0.256	2	105.3243	0.100	4	105.3243	0.100	4	103.8691	2.478	14	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:2:	4:3:4:	4:4:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH)	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2{1|H<1>,2|C<4>,2|O<1>}	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	105.4780	0.000	1	105.4780	0.000	1	105.3243	0.100	4	105.3243	0.100	4	103.8691	2.478	14	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,5]	N[5]	O[5]	4:3:2:2:	4:3:4:	4:4:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H)	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|C<3>,3|H<1>}	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	105.1830	0.000	1	105.1830	0.000	1	105.3243	0.100	4	105.3243	0.100	4	103.8691	2.478	14	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6,6]	N[5,6]	O[5,6]	3:2:4:4:	4:3:4:	4:4:	N[5,6]-3:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](N[5,6]C[6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2	N[5,6](C[5,6,6]O[5,6]C[6]2)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6,6](N[5,6]C[6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2{1|C<3>,3|C<4>,6|H<1>}	N[5,6](C[5,6,6]O[5,6]C[6]2)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH){6|C<4>,6|H<1>}	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|C<3>,2|C<4>,8|H<1>}	101.6850	0.000	1	101.6850	0.000	1	101.6850	0.000	1	101.6850	0.000	1	101.6850	0.000	1	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6,6]	N[5,6]	O[5]	3:3:4:2:	4:4:3:	4:4:	N[5,6]-3:N[6]-3:C[6,6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5]-4:	C[5,6,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[6,6]C[6]2C)(O[5]C[5])	N[5,6](C[5,6,6]C[6,6]N[6]O[5])(C[6]C[6]HH)(C[5]C[5]O)	O[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5]C[5]CH)	C[5,6,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[6,6]C[6]2C)(O[5]C[5]){2|C<4>,2|O<1>,3|C<3>,7|H<1>}	N[5,6](C[5,6,6]C[6,6]N[6]O[5])(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5]C[5]CH){1|O<1>,2|C<3>,4|C<4>}	103.7760	0.000	1	103.7760	0.000	1	103.7760	0.000	1	103.7760	0.000	1	102.9273	0.543	3	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6,6]	N[5,6]	O[5]	3:4:4:2:	4:4:3:	4:4:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5]-4:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH){2|C<3>,3|C<4>,4|H<1>}	102.4540	0.000	1	102.5030	0.005	2	102.5030	0.005	2	102.5030	0.005	2	102.9273	0.543	3	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6,6]	N[5,6]	O[5]	3:4:4:2:	4:4:3:	4:4:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5]-4:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<4>,3|C<3>,7|H<1>}	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH){2|C<4>,3|C<3>,4|H<1>}	102.5520	0.000	1	102.5030	0.005	2	102.5030	0.005	2	102.5030	0.005	2	102.9273	0.543	3	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,5,6]	O[5]	3:3:3:2:	4:4:3:	4:3:	N[5,5,6]-3:C[6]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6]-4:N[5,6]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	N[5,5,6](C[5,5]C[5,5]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])(N[5,6]C[5,5]C[5,6])	O[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]C[5,5]O)	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	N[5,5,6](C[5,5]C[5,5]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])(N[5,6]C[5,5]C[5,6]){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	O[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	104.9320	0.000	1	104.9320	0.000	1	104.9320	0.000	1	104.9320	0.000	1	104.9320	0.000	1	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,5]	O[5]	3:4:4:2:	4:4:3:	4:4:	N[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]C[5])	N[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2H)(C[5]C[5]O)	O[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]HH)	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,3|C<4>,7|H<1>}	N[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2H)(C[5]C[5]O){3|C<4>,9|H<1>}	O[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]HH){1|C<3>,3|C<4>,5|H<1>}	101.8950	0.000	1	101.8950	0.000	1	101.8950	0.000	1	101.8950	0.000	1	101.8950	0.000	1	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	3:3:2:1:	4:4:4:	4:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:S-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]H)(SC[6a]OO)	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]H)(SC[6a]OO){3|C<3>}	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	105.2710	0.000	1	105.2710	0.000	1	105.2710	0.000	1	105.2710	0.000	1	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	3:3:2:4:	4:4:3:	4:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH)	N[5,6](C[5,6]C[6,6a]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]O[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]O){1|C<4>,3|C<3>}	105.5150	0.000	1	105.5150	0.000	1	105.5150	0.000	1	105.5150	0.000	1	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	3:3:3:2:	4:4:3:	4:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C)	O[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,5|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C){3|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[5]HH){2|C<4>,5|C<3>}	104.3680	0.000	1	104.3680	0.000	1	104.3680	0.000	1	104.3680	0.000	1	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	3:3:4:2:	4:4:3:	4:4:	N[5,6]-3:C[6a]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5])	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){3|C<4>,4|C<3>,4|H<1>}	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	102.4450	0.000	1	102.4450	0.000	1	102.4450	0.000	1	102.4450	0.000	1	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:1:	3:4:4:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	105.4950	0.000	1	105.4950	0.000	1	105.4950	0.000	1	105.4950	0.000	1	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[5,6]O)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[5,6]O){2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	102.2080	0.000	1	102.2080	0.000	1	103.0456	0.199	14	103.0456	0.199	14	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	102.8730	0.000	2	102.8730	0.000	2	103.0456	0.199	14	103.0456	0.199	14	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,6|H<1>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	103.7080	0.858	2	103.7080	0.737	2	103.0456	0.199	14	103.0456	0.199	14	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	103.1240	0.143	2	103.0503	0.019	6	103.0456	0.199	14	103.0456	0.199	14	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	103.1170	0.133	2	103.0503	0.019	6	103.0456	0.199	14	103.0456	0.199	14	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	102.9100	0.000	2	103.0503	0.019	6	103.0456	0.199	14	103.0456	0.199	14	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]S)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|S<1>,5|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	103.0360	0.000	1	103.0360	0.000	1	103.0456	0.199	14	103.0456	0.199	14	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|N<2>,2|C<4>,4|H<1>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH){1|N<2>,2|C<3>,3|H<1>}	103.1940	0.000	1	102.9655	0.104	2	103.0456	0.199	14	103.0456	0.199	14	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|N<3>,2|C<4>,4|H<1>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	102.7370	0.000	1	102.9655	0.104	2	103.0456	0.199	14	103.0456	0.199	14	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:4:	4:4:1:	4:3:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](N[5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CF3)	N[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[6]O[5]C)(H)	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]O)	C[5,6](N[5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CF3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[6]O[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]O){1|C<3>,2|C<4>,3|H<1>}	102.8020	0.000	1	102.8020	0.000	1	102.8020	0.000	1	102.8020	0.000	1	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5,6]	O[5]	4:3:2:2:	4:4:3:	4:4:	C[5,6]-4:N[5,6]-3:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5])(OH)	N[5,6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(C[5]C[5]O)	O[5](C[5,6]C[5,6]N[5,6]O)(C[5]C[5]CN)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	N[5,6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|N<3>}	O[5](C[5,6]C[5,6]N[5,6]O)(C[5]C[5]CN){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	104.4330	0.694	2	104.4330	0.482	2	104.4330	0.482	2	104.4330	0.482	2	103.5182	1.011	22	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5]	O[5,6]	2:3:4:3:	4:3:1:	4:4:	O[5,6]-2:C[6a]-3:C[6]-4:N[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O)	N[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]C)(O)	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]C)(O){2|C<4>,2|H<1>,3|C<3>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	100.3055	0.070	2	100.3055	0.005	2	100.3055	0.005	2	100.3055	0.005	2	101.5914	1.086	8	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5]	O[5,6]	2:4:3:2:	4:3:4:	4:4:	O[5,6]-2:C[6]-4:N[5]-3:O-2:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(N[5]C[5]C)(OC)	N[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]N[5])(CCHH)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]O)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(N[5]C[5]C)(OC){1|C<4>,1|N<3>,3|H<1>}	N[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]N[5])(CCHH){3|H<1>,4|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]O){1|N<3>,2|C<4>,4|H<1>}	101.3435	0.148	2	101.3435	0.022	2	101.3435	0.022	2	101.3435	0.022	2	101.5914	1.086	8	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5]	O[5,6]	3:2:4:1:	4:3:3:	4:4:	N[5]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](N[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	N[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2)	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]N[5]H)	C[5,6](N[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]N[5]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	102.9415	0.647	2	102.9415	0.419	2	102.9415	0.419	2	102.9415	0.419	2	101.5914	1.086	8	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5]	O[5,6]	3:3:2:1:	4:4:3:	4:4:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)	O[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]N[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,6|C<3>}	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	O[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]N[5]H){1|H<1>,6|C<3>}	101.8600	0.000	1	101.8600	0.000	1	101.7750	0.014	2	101.7750	0.014	2	101.5914	1.086	8	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5]	O[5,6]	3:3:2:1:	4:4:3:	4:4:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]FF)(C[6a]C[6a]2)	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]FF)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C){2|F<1>,3|C<3>}	101.6900	0.000	1	101.6900	0.000	1	101.7750	0.014	2	101.7750	0.014	2	101.5914	1.086	8	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5]	O[5]	3:3:3:2:	4:3:3:	4:4:	N[5]-3:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[5a]-3:C[5]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5]C[5a]C[5])(C[6]C[6]H)2(O[5]C[5])	N[5](C[5,6]C[6]2O[5])(C[5a]N[5a]2)(C[5]C[5]O)	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)	C[5,6](N[5]C[5a]C[5])(C[6]C[6]H)2(O[5]C[5]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[5,6]C[6]2O[5])(C[5a]N[5a]2)(C[5]C[5]O){1|N<2>,4|C<3>,4|H<1>}	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	102.4280	0.000	1	102.4280	0.000	1	102.4280	0.000	1	102.4280	0.000	1	102.1125	0.116	4	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5]	O[5]	3:4:3:2:	4:3:3:	4:2:	N[5]-3:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:N[5]-2:	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5])	N[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	O[5](C[5,6]C[6]2N[5])(N[5]C[5])	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5]){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<4>,5|C<3>}	O[5](C[5,6]C[6]2N[5])(N[5]C[5]){1|H<1>,3|C<3>,3|C<4>}	101.6310	0.000	1	101.6310	0.000	1	101.6310	0.000	1	101.6310	0.000	1	102.1125	0.116	4	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5,6]	N[5]	O[5]	3:4:4:2:	4:3:3:	4:4:	N[5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]C[5])	N[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]O)	O[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]H)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,3|C<4>,6|H<1>}	O[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	102.1955	0.046	2	102.1955	0.002	2	102.1955	0.002	2	102.1955	0.002	2	102.1125	0.116	4	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:1:1:	3:4:3:	4:4:	N[5,5]-3:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	B[5]-4:C[5]-4:	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(H)2	N[5,5](N[5,5]B[5]C[5])(C[5]O[5]HH)(C[5]C[5]C)	O[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]HH)	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(H)2{1|C<4>,4|C<3>}	N[5,5](N[5,5]B[5]C[5])(C[5]O[5]HH)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	O[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]HH){6|C<3>}	103.9070	0.000	1	103.9070	0.000	1	103.9070	0.000	1	103.9070	0.000	1	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:3:4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH){1|O<1>,2|C<4>,2|H<1>}	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){3|C<3>}	103.5840	0.000	1	103.5840	0.000	1	103.5840	0.000	1	103.5840	0.000	1	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	103.7350	0.000	1	103.5705	0.050	6	103.6698	0.063	11	103.6698	0.063	11	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	103.8450	0.000	1	103.5705	0.050	6	103.6698	0.063	11	103.6698	0.063	11	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	103.5310	0.000	1	103.5705	0.050	6	103.6698	0.063	11	103.6698	0.063	11	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){3|C<3>}	103.4660	0.300	2	103.5705	0.050	6	103.6698	0.063	11	103.6698	0.063	11	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){3|C<3>}	103.3800	0.000	1	103.5705	0.050	6	103.6698	0.063	11	103.6698	0.063	11	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){3|C<3>}	103.5975	0.080	2	103.6227	0.005	3	103.6698	0.063	11	103.6698	0.063	11	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,3|H<1>}	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){3|C<3>}	103.6730	0.000	1	103.6227	0.005	3	103.6698	0.063	11	103.6698	0.063	11	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O){1|C<4>,5|H<1>}	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){1|C<3>,1|C<4>,1|H<1>}	104.0385	0.168	2	104.0385	0.028	2	103.6698	0.063	11	103.6698	0.063	11	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:4:	4:3:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]O[5]CH)	O[5](C[5]N[5,5]CH)(C[5]C[5,5]O)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]O[5]CH){1|O<1>,4|H<1>}	O[5](C[5]N[5,5]CH)(C[5]C[5,5]O){3|C<4>}	104.7910	0.000	1	104.7910	0.000	1	104.7910	0.000	1	104.7910	0.000	1	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:4:3:	4:3:4:	4:4:	N[5,5]-3:O[5]-2:C-4:C-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,5]O)(C[5]O[5]CC)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5,5]O)(C[5]O[5]CC){1|C<3>,1|C<4>,4|H<1>}	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<4>,2|C<3>}	102.5325	0.032	2	102.5325	0.001	2	102.5325	0.001	2	102.5325	0.001	2	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:4:3:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:C-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CC)(C[5]C[5]O)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CC)(C[5]C[5]O){1|C<3>,5|H<1>}	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<4>,2|C<3>}	102.5250	0.000	1	102.4640	0.007	2	102.4640	0.007	2	102.4640	0.007	2	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:4:3:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:C-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CC)(C[5]C[5]O)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CC)(C[5]C[5]O){2|C<3>,4|H<1>}	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<4>,2|C<3>}	102.4030	0.000	1	102.4640	0.007	2	102.4640	0.007	2	102.4640	0.007	2	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<3>,1|C<4>,1|H<1>}	101.6080	0.000	1	101.7865	0.064	2	101.7865	0.064	2	101.7865	0.064	2	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O){1|C<4>,5|H<1>}	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<3>,1|C<4>,1|H<1>}	101.9650	0.000	1	101.7865	0.064	2	101.7865	0.064	2	101.7865	0.064	2	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:3:2:1:	4:4:3:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5,5]O)	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5,5]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	104.5630	0.000	1	104.5630	0.000	1	104.5630	0.000	1	103.6163	0.286	6	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:3:2:1:	4:4:3:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,4|C<3>}	102.9760	0.000	1	103.4270	0.089	5	103.4270	0.089	5	103.6163	0.286	6	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:3:2:1:	4:4:3:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	103.4410	0.000	1	103.4270	0.089	5	103.4270	0.089	5	103.6163	0.286	6	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:3:2:1:	4:4:3:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	103.6915	0.053	2	103.4270	0.089	5	103.4270	0.089	5	103.6163	0.286	6	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,5]	O[5]	3:3:2:1:	4:4:3:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,4|C<3>,5|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){2|C<3>,4|H<1>}	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,4|C<3>}	103.3350	0.000	1	103.4270	0.089	5	103.4270	0.089	5	103.6163	0.286	6	103.3813	0.556	26	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,6,6]	O[5]	3:2:4:1:	4:3:4:	4:4:	N[5,6,6]-3:O[5]-2:C-4:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H)	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(C[5]O[5]CH)	O[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]CH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(C[5]O[5]CH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	O[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]CH){1|C<4>,2|C<3>}	102.4490	0.000	1	102.4490	0.000	1	102.4490	0.000	1	102.4490	0.000	1	102.5348	0.088	5	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,6,6]	O[5]	3:3:2:1:	4:4:3:	4:4:	N[5,6,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-3:	C[5]-4:C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[3x6]O)	O[5](C[5]N[5,6,6]C[6a]H)(C[5]C[5,3x6]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[3x6]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5]N[5,6,6]C[6a]H)(C[5]C[5,3x6]HH){1|C<4>,4|C<3>}	102.1730	0.000	1	102.1730	0.000	1	102.5563	0.114	4	102.5563	0.114	4	102.5348	0.088	5	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,6,6]	O[5]	3:3:2:1:	4:4:3:	4:4:	N[5,6,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-3:	C[5]-4:C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[4x6]O)	O[5](C[5]N[5,6,6]C[6a]H)(C[5]C[5,3x6]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[4x6]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5]N[5,6,6]C[6a]H)(C[5]C[5,3x6]HH){1|C<4>,4|C<3>}	102.6840	0.270	3	102.6840	0.073	3	102.5563	0.114	4	102.5563	0.114	4	102.5348	0.088	5	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,6]	O[5]	3:2:1:1:	4:3:4:	4:4:	N[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6,6]O)(C[5]O[5]HH)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6,6]O)(C[5]O[5]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5]C[5,6]CH)(C[5]N[5,6]HH){1|H<1>,2|C<3>}	104.7550	0.000	1	104.7550	0.000	1	105.1980	0.392	2	105.1980	0.392	2	103.4827	1.899	6	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,6]	O[5]	3:2:1:1:	4:3:4:	4:4:	N[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O[5](C[5]C[5,6]CH)(C[5]N[5,6]HH){1|H<1>,2|C<3>}	105.6410	0.000	1	105.6410	0.000	1	105.1980	0.392	2	105.1980	0.392	2	103.4827	1.899	6	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,6]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5,6]-3:O[5]-2:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CC)(C[6]C[6]O)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CC)(C[6]C[6]O){1|S<4>,2|C<3>,3|H<1>}	O[5](C[5]C[5,6]HH)(C[5]N[5,6]CC){1|H<1>,2|C<3>}	102.1700	0.000	1	102.1700	0.000	1	102.1700	0.000	1	102.1700	0.000	1	103.4827	1.899	6	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,6]	O[5]	3:3:2:1:	4:4:3:	4:4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6,6]O)	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH){1|H<1>,4|C<3>}	102.7900	0.000	1	102.7900	0.000	1	102.7767	0.000	3	102.7767	0.000	3	103.4827	1.899	6	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,6]	O[5]	3:3:2:1:	4:4:3:	4:4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]O)	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH){1|H<1>,4|C<3>}	102.7680	0.000	1	102.7680	0.000	1	102.7767	0.000	3	102.7767	0.000	3	103.4827	1.899	6	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5,6]	O[5]	3:3:2:1:	4:4:3:	4:4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]O)	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH){1|H<1>,4|C<3>}	102.7720	0.000	1	102.7720	0.000	1	102.7767	0.000	3	102.7767	0.000	3	103.4827	1.899	6	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:1:1:	4:4:3:	4:3:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O)	O[5](C[5]N[5]HH)(C[5]C[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O){1|O<1>}	O[5](C[5]N[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	104.5230	0.000	1	104.5230	0.000	1	104.5230	0.000	1	104.5230	0.000	1	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:3:1:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	N[5](C[5]C[5]CC)(C[5]O[5]CH)(CCO)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]O[5]CH)(CCO){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,2|C<4>}	104.2230	0.000	1	104.2230	0.000	1	103.9460	0.153	2	103.9460	0.153	2	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:3:1:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(CCO)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(CCO){2|C<3>,2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|H<1>,2|C<3>}	103.6690	0.000	1	103.6690	0.000	1	103.9460	0.153	2	103.9460	0.153	2	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:1:	4:3:4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H)	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC[6a]HH)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC[6a]HH){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|O<1>}	104.8360	0.000	1	104.8360	0.000	1	104.1773	0.323	4	104.1773	0.323	4	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:1:	4:3:4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC3)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>}	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC3){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|O<1>}	103.9577	0.442	3	103.9577	0.196	3	104.1773	0.323	4	104.1773	0.323	4	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:1:	4:4:3:	4:3:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O)	O[5](C[5]N[5]CH)(C[5]C[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O){1|O<1>}	O[5](C[5]N[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	103.6893	0.288	3	103.6893	0.083	3	103.6893	0.083	3	103.6893	0.083	3	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	N[5](C[5]C[5]CC)(C[5]O[5]CH)(CC[6a]O)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]O[5]CH)(CC[6a]O){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,2|C<4>}	104.2580	0.000	1	104.2580	0.000	1	105.4605	2.892	2	105.4605	2.892	2	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CCO)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CCO){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|H<1>,2|C<3>}	106.6630	0.000	1	106.6630	0.000	1	105.4605	2.892	2	105.4605	2.892	2	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	3:4:1:	3:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(CCHH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	103.5120	0.000	1	103.5120	0.000	1	103.5120	0.000	1	103.5120	0.000	1	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	3:4:3:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2	N[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CC){1|O<1>,3|C<3>}	101.6830	0.000	1	101.6830	0.000	1	101.6830	0.000	1	101.6830	0.000	1	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	3:4:4:	3:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	104.3790	0.000	1	104.3790	0.000	1	104.5610	0.066	2	104.5610	0.066	2	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	3:4:4:	3:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]HH){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	104.7430	0.000	1	104.7430	0.000	1	104.5610	0.066	2	104.5610	0.066	2	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	3:4:4:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC){2|C<3>,4|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,2|H<1>}	105.0310	0.000	1	105.0310	0.000	1	103.3040	5.965	2	103.3040	5.965	2	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	3:4:4:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2	N[5](C[6a]N[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2{2|N<2>,4|H<1>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)(C[5]O[5]CC){2|C<3>,2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,2|H<1>}	101.5770	0.000	1	101.5770	0.000	1	103.3040	5.965	2	103.3040	5.965	2	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:	C[5](N[5]C[5,6]C)(O[5]C[5,6])(CH3)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(COO)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC)	C[5](N[5]C[5,6]C)(O[5]C[5,6])(CH3)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(COO){2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	102.9670	0.000	1	102.9670	0.000	1	102.9670	0.000	1	101.9587	0.372	36	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3)	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CCO)	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CCO){1|C<4>,1|H<1>}	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,2|H<1>}	101.7810	0.000	1	101.7810	0.000	1	101.9299	0.353	35	101.9587	0.372	36	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[3]C[5]H)(C[5]O[5]CC)(COO)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	N[5](C[5]C[3]C[5]H)(C[5]O[5]CC)(COO){1|C<4>,1|O<2>,3|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	102.9980	0.000	1	102.9980	0.000	1	101.9299	0.353	35	101.9587	0.372	36	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	102.0720	0.000	1	101.9050	0.056	2	101.9299	0.353	35	101.9587	0.372	36	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO){1|C<4>,1|O<2>,3|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	101.7380	0.000	1	101.9050	0.056	2	101.9299	0.353	35	101.9587	0.372	36	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CC)(C[5]O[5]CC)(COO)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]O[5]CC)(COO){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,2|C<4>}	101.9510	0.000	1	101.9510	0.000	1	101.9299	0.353	35	101.9587	0.372	36	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CC)(C[5]O[5]CC)(COS)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]O[5]CC)(COS){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,2|C<4>}	102.2090	0.000	1	102.2090	0.000	1	101.9299	0.353	35	101.9587	0.372	36	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO)	O[5](C[5]C[5]CC)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO){2|C<4>}	O[5](C[5]C[5]CC)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	102.6870	0.000	2	102.6870	0.000	2	101.9299	0.353	35	101.9587	0.372	36	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO)	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO){1|C<4>,1|H<1>}	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	103.0620	0.000	1	103.0620	0.000	1	101.9299	0.353	35	101.9587	0.372	36	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	102.5580	0.000	1	102.5580	0.000	1	101.9299	0.353	35	101.9587	0.372	36	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){1|C<4>,1|H<1>}	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	102.1650	0.257	2	102.1650	0.066	2	101.9299	0.353	35	101.9587	0.372	36	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|H<1>,2|C<3>}	102.0002	0.873	4	101.7050	0.325	21	101.9299	0.353	35	101.9587	0.372	36	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	101.6356	0.486	17	101.7050	0.325	21	101.9299	0.353	35	101.9587	0.372	36	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]C[6]H)(C[5]O[5]CC)(COO)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]O[5]CC)(COO){1|C<4>,1|O<2>,3|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	101.8345	0.337	2	101.8345	0.114	2	101.9299	0.353	35	101.9587	0.372	36	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:2:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){5|C<3>}	100.8950	0.000	1	100.8950	0.000	1	100.8950	0.000	1	100.8950	0.000	1	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:3:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CN)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CN){1|O<1>,1|S<4>,2|C<3>}	102.6960	0.000	1	102.6960	0.000	1	102.6960	0.000	1	102.6960	0.000	1	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(COO)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(COO){1|H<1>,5|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|H<1>,4|C<3>}	101.7260	0.000	1	101.7260	0.000	1	102.7798	0.545	4	103.0232	0.477	6	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CCO)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CCO){2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){2|C<4>,3|C<3>}	103.0050	0.000	1	103.0050	0.000	1	102.7798	0.545	4	103.0232	0.477	6	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	103.4500	0.000	1	103.4500	0.000	1	102.7798	0.545	4	103.0232	0.477	6	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	102.9380	0.000	1	102.9380	0.000	1	102.7798	0.545	4	103.0232	0.477	6	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:3:	4:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,8|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC){5|C<3>}	103.3750	0.000	1	103.3750	0.000	1	103.3750	0.000	1	103.0232	0.477	6	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:3:	4:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|H<1>,4|C<3>}	103.6450	0.000	1	103.6450	0.000	1	103.6450	0.000	1	103.0232	0.477	6	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)(CC3)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)(CC3){1|O<1>,4|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]O){2|C<4>,3|C<3>}	103.9330	0.000	1	103.9330	0.000	1	103.9330	0.000	1	103.9330	0.000	1	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:2:4:	3:4:3:	3:4:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C){1|H<1>,5|C<3>}	103.3900	0.000	1	103.3900	0.000	1	103.3900	0.000	1	103.3900	0.000	1	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:2:4:	4:3:3:	4:2:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH)	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	O[5](C[5]C[6a]N[5]C)(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH){2|H<1>,5|C<3>}	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	O[5](C[5]C[6a]N[5]C)(N[5]C[5]){4|C<3>}	102.0290	0.000	1	102.0290	0.000	1	102.0290	0.000	1	102.0290	0.000	1	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:2:4:	4:3:4:	4:4:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3)	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,3|C<3>,4|H<1>}	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	104.9260	0.000	1	104.9260	0.000	1	104.9260	0.000	1	104.9260	0.000	1	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:2:4:	4:4:3:	4:4:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3)	N[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5]H)(CC[6a]O)	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	N[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5]H)(CC[6a]O){1|N<3>,2|H<1>,3|C<3>}	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH){1|H<1>,1|N<3>,3|C<3>}	102.5820	0.000	1	102.5820	0.000	1	102.5820	0.000	1	102.1665	0.101	4	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:2:4:	4:4:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[5a]O)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[5a]O){2|H<1>,4|C<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|H<1>,4|C<3>}	101.9815	0.245	2	101.9815	0.060	2	102.0280	0.037	3	102.1665	0.101	4	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:2:4:	4:4:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	N[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CCO)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CCO){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]CH){2|H<1>,3|C<3>}	102.1210	0.000	1	102.1210	0.000	1	102.0280	0.037	3	102.1665	0.101	4	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:3:2:	4:3:1:	4:2:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)2(N[5]C[5]H)(O[5]N[5])	N[5](C[5]C[6a]2O[5])(C[5]C[6a]N[5])(H)	O[5](C[5]C[6a]2N[5])(N[5]C[5])	C[5](C[6a]C[6a]2)2(N[5]C[5]H)(O[5]N[5]){4|H<1>,5|C<3>}	N[5](C[5]C[6a]2O[5])(C[5]C[6a]N[5])(H){6|C<3>}	O[5](C[5]C[6a]2N[5])(N[5]C[5]){1|H<1>,5|C<3>}	100.2560	0.215	2	100.2560	0.046	2	100.2560	0.046	2	100.2560	0.046	2	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:3:2:	4:3:3:	4:2:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:C[5]-3:N-3:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5])	N[5](C[5]C[6a]2O[5])(C[5]C[6a]N[5])(NCH)	O[5](C[5]C[6a]2N[5])(N[5]C[5])	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]2O[5])(C[5]C[6a]N[5])(NCH){6|C<3>}	O[5](C[5]C[6a]2N[5])(N[5]C[5]){1|N<3>,5|C<3>}	101.9870	0.000	1	101.9870	0.000	1	101.9870	0.000	1	101.9870	0.000	1	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:3:2:	4:4:2:	4:4:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(OCo)	O[5](C[5]C[6]2N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Co<6>,2|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(OCo){2|C<3>,2|H<1>,2|N<3>}	O[5](C[5]C[6]2N[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|N<3>}	102.6430	0.177	4	102.6430	0.031	4	102.7150	0.049	5	102.7150	0.049	5	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:3:2:	4:4:2:	4:4:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(ONi)	O[5](C[5]C[6]2N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Ni<6>,2|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(ONi){2|C<3>,2|H<1>,2|N<3>}	O[5](C[5]C[6]2N[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|N<3>}	103.0030	0.000	1	103.0030	0.000	1	102.7150	0.049	5	102.7150	0.049	5	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:3:2:	4:4:4:	4:3:	C[6a]-3:N[5]-3:N[5]-3:O[5]-2:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]S)(O[5]C[5])	N[5](C[5]C[6a]N[5]O[5])(C[5]C[6a]C[5]H)(SC[6a]OO)	O[5](C[5]C[6a]N[5]2)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]S)(O[5]C[5]){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]O[5])(C[5]C[6a]C[5]H)(SC[6a]OO){7|C<3>}	O[5](C[5]C[6a]N[5]2)(C[5]C[5]C){1|H<1>,1|S<4>,5|C<3>}	101.9110	0.000	1	101.9110	0.000	1	101.9110	0.000	1	101.9110	0.000	1	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:3:4:2:	4:4:3:	4:4:	C[6a]-3:N[5]-3:C-4:O[5]-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5])	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CCO)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5]){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CCO){2|H<1>,4|C<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|H<1>,4|C<3>}	102.0300	0.000	1	102.0300	0.000	1	102.0300	0.000	1	102.0300	0.000	1	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	4:4:3:	4:4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|C<4>,1|H<1>}	103.7380	0.252	2	103.7380	0.063	2	103.8347	0.060	3	103.8347	0.060	3	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP2_SP3	C[5]	N[5]	O[5]	3:4:2:1:	4:4:3:	4:4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	N[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]O[5]CH)(COO){1|C<3>,1|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH){2|H<1>,3|C<3>}	104.0280	0.000	1	104.0280	0.000	1	103.8347	0.060	3	103.8347	0.060	3	102.6355	1.442	83	103.1264	2.041	206
474	542	976	5:SP3_SP3_SP3	C[3x5,6,6]	N[5,5,6]	O[5,5]	4:3:4:2:	4:3:3:	4:4:	C[3,5,6]-4:N[5,5,6]-3:C[5,6,6]-4:O[5,5]-2:	C[3x5,6,6]-4:C[5,6a]-3:C[5,6]-3:	C[3x5,6,6]-4:C[5,5,6]-4:	C[3x5,6,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[5,5,6]C[5,6a]C[5,6])(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])	N[5,5,6](C[3x5,6,6]C[3,5,6]C[5,6,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]O)	O[5,5](C[3x5,6,6]C[3,5,6]C[5,6,6]N[5,5,6])(C[5,5,6]C[5,6]2C)	C[3x5,6,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[5,5,6]C[5,6a]C[5,6])(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6]){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	N[5,5,6](C[3x5,6,6]C[3,5,6]C[5,6,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]O){2|H<1>,3|C<3>,4|C<4>}	O[5,5](C[3x5,6,6]C[3,5,6]C[5,6,6]N[5,5,6])(C[5,5,6]C[5,6]2C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	102.1950	0.000	1	102.1950	0.000	1	102.1950	0.000	1	102.1950	0.000	1	102.1950	0.000	1	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[3x5,6]	N[5,5]	O[5]	4:3:3:2:	4:4:4:	4:4:	C[3x5,6]-4:C[5,6]-3:N[5,5]-3:O[5]-2:	C[3x5,6]-4:C[5]-4:S[5]-4:	C[3x5,6]-4:C[5]-4:	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,5]C[5]S[5])(O[5]C[5])	N[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(S[5]C[5]OO)	O[5](C[3x5,6]C[3x5,6]C[5,6]N[5,5])(C[5]C[5]HH)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,5]C[5]S[5])(O[5]C[5]){2|O<1>,3|C<4>,9|H<1>}	N[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(S[5]C[5]OO){1|O<1>,3|C<4>,4|H<1>}	O[5](C[3x5,6]C[3x5,6]C[5,6]N[5,5])(C[5]C[5]HH){1|O<1>,1|S<4>,2|H<1>,4|C<4>}	105.6650	0.000	1	105.6650	0.000	1	105.6650	0.000	1	105.6650	0.000	1	104.8910	1.198	2	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[3x5,6]	N[5,5]	O[5]	4:4:3:2:	4:4:4:	4:4:	C[3x5,6]-4:C[5,6]-4:N[5,5]-3:O[5]-2:	C[3x5,6]-4:C[5]-4:S[5]-4:	C[3x5,6]-4:C[5]-4:	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,5]C[5]S[5])(O[5]C[5])	N[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(S[5]C[5]OO)	O[5](C[3x5,6]C[3x5,6]C[5,6]N[5,5])(C[5]C[5]HH)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,5]C[5]S[5])(O[5]C[5]){2|O<1>,3|C<4>,9|H<1>}	N[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(S[5]C[5]OO){1|O<2>,3|C<4>,5|H<1>}	O[5](C[3x5,6]C[3x5,6]C[5,6]N[5,5])(C[5]C[5]HH){1|O<2>,1|S<4>,3|H<1>,4|C<4>}	104.1170	0.000	1	104.1170	0.000	1	104.1170	0.000	1	104.1170	0.000	1	104.8910	1.198	2	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[3x5]	N[5,5]	O[5]	4:3:4:2:	4:4:3:	4:4:	C[3x5]-4:N[5,5]-3:C[5]-4:O[5]-2:	C[3x5]-4:C[5]-4:C[5]-3:	C[3x5]-4:C[5]-4:	C[3x5](C[3x5]C[5,5]2O[5])(N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])	N[5,5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5,5]HH)(C[5]C[5]O)	O[5](C[3x5]C[3x5]N[5,5]C[5])(C[5]C[5]HH)	C[3x5](C[3x5]C[5,5]2O[5])(N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5]){1|C<4>,2|O<2>,3|O<1>,6|H<1>}	N[5,5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5,5]HH)(C[5]C[5]O){1|C<4>,1|S<4>,2|O<2>,5|H<1>}	O[5](C[3x5]C[3x5]N[5,5]C[5])(C[5]C[5]HH){1|O<1>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	106.5850	0.000	1	106.5850	0.000	1	106.5850	0.000	1	104.5760	8.072	2	104.5760	8.072	2	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[3x5]	N[5,5]	O[5]	4:3:4:2:	4:4:3:	4:4:	C[5,5]-4:N[5,5]-3:C[5]-4:O[5]-2:	C[3x5]-4:C[5]-4:C[5]-3:	C[3x5]-4:C[5]-4:	C[3x5](C[5,5]C[5]2H)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	N[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]O)	O[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CH)	C[3x5](C[5,5]C[5]2H)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	N[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]O){1|C<3>,2|C<4>,6|H<1>}	O[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CH){2|C<4>,3|C<3>,4|H<1>}	102.5670	0.000	1	102.5670	0.000	1	102.5670	0.000	1	104.5760	8.072	2	104.5760	8.072	2	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5,6]	N[5,6]	O[5,5]	4:2:3:4:	4:3:4:	4:4:	C[5,5,6]-4:O[5,5]-2:N[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3)	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	100.1010	0.000	1	100.1010	0.000	1	100.1010	0.000	1	100.1010	0.000	1	100.1010	0.000	1	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5,6]	N[5]	O[5]	4:4:3:2:	4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:O[5]-2:	C[5,5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5])	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3)	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H){1|Cl<1>,3|C<3>,3|H<1>,4|C<4>}	102.4590	0.394	3	102.4590	0.155	3	102.8005	0.570	4	102.8005	0.570	4	102.8005	0.570	4	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5,6]	N[5]	O[5]	4:4:3:2:	4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:O[5]-2:	C[5,5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5])	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3)	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5]){1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3){2|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H){2|Cl<1>,2|H<1>,3|C<3>,4|C<4>}	103.8250	0.000	1	103.8250	0.000	1	102.8005	0.570	4	102.8005	0.570	4	102.8005	0.570	4	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[3x5]	O[5]	4:3:2:1:	4:4:4:	4:4:	C[5,6]-4:N[3x5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H)	N[3x5](C[5,5]C[5,6]O[5]H)3	O[5](C[5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,6]N[3x5]H)	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	N[3x5](C[5,5]C[5,6]O[5]H)3{6|C<4>}	O[5](C[5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,6]N[3x5]H){3|O<2>,4|H<1>,5|C<4>}	107.0717	0.243	3	107.0717	0.059	3	107.0717	0.059	3	107.0717	0.059	3	107.0717	0.059	3	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:2:3:4:	4:4:2:	4:4:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:C[5,5]-4:	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){1|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C){1|Pt<4>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	105.8675	0.120	2	105.6080	0.209	3	105.7666	0.166	5	105.7666	0.166	5	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:2:3:4:	4:4:2:	4:4:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:C[5,5]-4:	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){2|H<1>,3|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,2|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C){1|Pt<4>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	105.0890	0.000	1	105.6080	0.209	3	105.7666	0.166	5	105.7666	0.166	5	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:2:3:4:	4:4:2:	4:4:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:C[5,5]-4:	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CH3)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CH3){1|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C){1|Pt<4>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	106.0045	0.240	2	106.0045	0.057	2	105.7666	0.166	5	105.7666	0.166	5	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:3:2:2:	4:3:4:	4:4:	C[6a]-3:N[5,5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5])	N[5,5](C[5,5]C[6a]O[5]2)(C[5]C[6a]N[5])(C[5]C[5]HH)	O[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5]){3|C<3>,6|H<1>}	N[5,5](C[5,5]C[6a]O[5]2)(C[5]C[6a]N[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	O[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){1|N<2>,2|H<1>,3|C<3>}	106.6650	0.000	1	106.6650	0.000	1	106.6650	0.000	1	106.6650	0.000	1	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:3:2:4:	4:4:2:	4:4:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CCHH)	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5])	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CCHH){1|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|C<3>,2|H<1>}	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH){1|Pt<4>,1|C<3>,1|O<2>,2|C<4>}	107.4940	0.000	1	107.4940	0.000	1	107.5355	0.003	2	107.5355	0.003	2	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:3:2:4:	4:4:2:	4:4:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3)	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5])	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3){2|H<1>,3|C<4>}	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|C<4>,2|H<1>}	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH){1|Pt<4>,1|C<3>,1|O<2>,2|C<4>}	107.5770	0.000	1	107.5770	0.000	1	107.5355	0.003	2	107.5355	0.003	2	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:3:2:4:	4:4:4:	4:4:	C[5,6a]-3:N[5,5]-3:O[5]-2:C-4:	C[5,5]-4:C[5,6]-4:S[5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(O[5]C[5,6])(CF3)	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO)	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6]C[5,6]C[6]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(O[5]C[5,6])(CF3){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO){1|C<4>,2|H<1>,4|C<3>}	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6]C[5,6]C[6]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	106.2070	0.000	1	106.2070	0.000	1	106.2070	0.000	1	106.6545	0.401	2	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:3:2:4:	4:4:4:	4:4:	C[5,6a]-3:N[5,5]-3:O[5]-2:C-4:	C[5,5]-4:S[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(O[5]C[5])(CF3)	N[5,5](C[5,5]C[5,6a]O[5]C)(S[5]C[5,6a]OO)(C[5]C[5]CH)	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(O[5]C[5])(CF3){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N[5,5](C[5,5]C[5,6a]O[5]C)(S[5]C[5,6a]OO)(C[5]C[5]CH){2|C<3>,2|H<1>}	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	107.1020	0.000	1	107.1020	0.000	1	107.1020	0.000	1	106.6545	0.401	2	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:3:4:2:	4:4:3:	4:4:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O)	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O){1|N<2>,3|C<3>,6|H<1>}	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	103.5440	1.178	2	103.5440	1.388	2	103.5440	1.388	2	103.5440	1.388	2	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:1:	4:4:4:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H)	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5,5]N[5,5]C[5]H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H){1|O<2>,2|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,4|H<1>}	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5,5]N[5,5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	106.0640	0.000	1	106.0640	0.000	1	106.0640	0.000	1	106.7893	0.378	7	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:1:	4:4:4:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H){1|Fe<10>,2|C<3>,3|C<4>,8|H<1>}	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	107.3740	0.327	2	107.3740	0.107	2	107.3740	0.107	2	106.7893	0.378	7	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:1:	4:4:4:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|C<3>,5|H<1>}	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,3|H<1>}	106.5310	0.000	1	106.5310	0.000	1	106.9137	0.118	3	106.7893	0.378	7	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:1:	4:4:4:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H)	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH){3|C<3>,3|H<1>}	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	107.1050	0.124	2	107.1050	0.015	2	106.9137	0.118	3	106.7893	0.378	7	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:1:	4:4:4:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H)	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H){3|C<3>,5|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH){4|C<3>,4|H<1>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	105.9720	0.000	1	105.9720	0.000	1	105.9720	0.000	1	106.7893	0.378	7	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:3:	3:4:4:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	103.9713	0.141	3	103.9713	0.020	3	103.9713	0.020	3	103.9713	0.020	3	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:4:	4:4:3:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(CH3)	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]C)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O){2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]C){1|C<4>,3|C<3>,5|H<1>}	103.6770	0.000	1	103.6770	0.000	1	103.6770	0.000	1	103.7750	0.200	6	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:4:	4:4:3:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(CCHH)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<3>,1|O<1>,5|H<1>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O){2|C<3>,6|H<1>}	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	104.2780	0.000	1	104.2780	0.000	1	103.7946	0.247	5	103.7750	0.200	6	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:4:	4:4:3:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CC)(C[5]O[5]O)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CC)(C[5]O[5]O){1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>}	103.7045	0.770	2	103.7045	0.593	2	103.7946	0.247	5	103.7750	0.200	6	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:4:	4:4:3:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	103.8650	0.000	1	103.8650	0.000	1	103.7946	0.247	5	103.7750	0.200	6	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5,5]	O[5]	3:4:2:4:	4:4:3:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C[6]C)(C[5]O[5]O)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C[6]C)(C[5]O[5]O){2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>}	103.4210	0.000	1	103.4210	0.000	1	103.7946	0.247	5	103.7750	0.200	6	105.4662	2.317	28	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	3:3:3:2:	4:3:2:	4:4:	C[5]-3:N[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(N[5]C[5]O)(O[5]C[5])	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(OC)	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CC)	C[5,5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(N[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CC){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	102.6380	0.000	1	102.6380	0.000	1	102.6380	0.000	1	102.6380	0.000	1	104.2270	1.951	5	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	3:3:3:2:	4:3:4:	4:4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	104.7770	0.000	1	104.7770	0.000	1	104.7770	0.000	1	104.7770	0.000	1	104.2270	1.951	5	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	3:3:3:2:	4:4:4:	4:4:	N[5]-3:N[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[5]C)3(O[5]C[5])	N[5](C[5,5]N[5]2O[5])(C[5]C[5]CH)(CC[6a]HH)	O[5](C[5,5]N[5]3)(C[5]C[5]CH)	C[5,5](N[5]C[5]C)3(O[5]C[5]){4|C<3>,4|H<1>}	N[5](C[5,5]N[5]2O[5])(C[5]C[5]CH)(CC[6a]HH){1|C<3>,1|H<1>,4|C<4>}	O[5](C[5,5]N[5]3)(C[5]C[5]CH){1|C<3>,1|H<1>,5|C<4>}	102.9190	0.000	1	102.9190	0.000	1	102.9190	0.000	1	102.9190	0.000	1	104.2270	1.951	5	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	3:4:3:2:	4:4:1:	4:4:	C[5,6a]-3:C[3,5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]CC)(H)	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]CC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	105.9070	0.000	1	105.9070	0.000	1	105.9070	0.000	1	105.9070	0.000	1	104.2270	1.951	5	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,5]	N[5]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]CC)(N[5]C[5]H)(O[5]C[5])(O[5]N[5])	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)	C[5,5](C[5]C[5]CC)(N[5]C[5]H)(O[5]C[5])(O[5]N[5]){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,3|C<4>}	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH){1|N<3>,2|H<1>,4|C<4>}	104.8940	0.000	1	104.8940	0.000	1	104.8940	0.000	1	104.8940	0.000	1	104.2270	1.951	5	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6,6]	N[5,6]	O[5,6]	3:2:4:4:	4:4:4:	4:4:	N[5,6]-3:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](N[5,6]C[5,6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2	N[5,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6,6](N[5,6]C[5,6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2{1|O<2>,4|C<4>,6|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH){1|O<2>,6|H<1>,7|C<4>}	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H){3|C<4>,8|H<1>}	100.1750	0.066	2	100.1750	0.004	2	100.1750	0.004	2	100.1750	0.004	2	100.1750	0.004	2	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6,6]	N[5,6]	O[5]	3:4:4:2:	4:4:3:	4:4:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5]-4:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<4>,3|C<3>,7|H<1>}	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH){2|C<4>,3|C<3>,4|H<1>}	101.2300	0.000	1	101.2300	0.000	1	101.2300	0.000	1	101.2300	0.000	1	101.2300	0.000	1	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5,5,6]	O[5]	3:4:2:1:	4:4:4:	4:4:	N[5,5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H)	N[5,5,6](C[5,6]C[5,6]O[5]H)2(C[5,5]C[5]2C)	O[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]C[5,5]HH)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	N[5,5,6](C[5,6]C[5,6]O[5]H)2(C[5,5]C[5]2C){1|N<3>,2|O<2>,6|H<1>}	O[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]C[5,5]HH){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	107.2650	0.088	2	107.2650	0.008	2	107.2650	0.008	2	106.2757	0.643	6	106.2757	0.643	6	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5,5,6]	O[5]	3:4:2:1:	4:4:4:	4:4:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H)	N[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2C)	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2C){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	105.6520	0.410	2	105.6520	0.168	2	105.7810	0.091	4	106.2757	0.643	6	106.2757	0.643	6	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5,5,6]	O[5]	3:4:2:1:	4:4:4:	4:4:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]O[6]CH)(O[5]C[5])(H)	N[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2C)	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]O[6]CH)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	N[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2C){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH){1|H<1>,1|O<2>,4|C<4>}	105.9100	0.194	2	105.9100	0.038	2	105.7810	0.091	4	106.2757	0.643	6	106.2757	0.643	6	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5,6]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH){2|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	105.8820	0.000	1	105.8820	0.000	1	106.0840	0.031	3	105.1218	3.724	4	104.8263	3.149	12	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5,6]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH){2|C<3>,4|H<1>}	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	106.1850	0.028	2	106.1850	0.001	2	106.0840	0.031	3	105.1218	3.724	4	104.8263	3.149	12	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5,6]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(S[6]O[6]OO){2|C<3>,2|H<1>}	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH){1|H<1>,1|S<4>,3|C<3>}	102.2350	0.000	1	102.2350	0.000	1	102.2350	0.000	1	105.1218	3.724	4	104.8263	3.149	12	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5,6]	O[5]	3:3:2:3:	4:4:4:	4:4:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-3:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH)	N[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[6a]C[5]C)(S[6]O[6]OO)	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[6a]C[5]C)(S[6]O[6]OO){2|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>}	102.9190	0.000	1	102.9190	0.000	1	102.9190	0.000	1	102.9190	0.000	1	104.8263	3.149	12	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5,6]	O[5]	3:3:3:2:	4:4:3:	4:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C)	O[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,5|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C){3|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[5]HH){2|C<4>,5|C<3>}	104.4100	0.000	1	104.4100	0.000	1	104.4100	0.000	1	104.4100	0.000	1	104.8263	3.149	12	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5,6]	O[5]	3:3:4:2:	4:4:3:	4:4:	N[5,6]-3:C[6a]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5])	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){3|C<4>,4|C<3>,4|H<1>}	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	102.9780	0.000	1	102.9780	0.000	1	102.9780	0.000	1	102.9780	0.000	1	104.8263	3.149	12	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:1:	3:4:4:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	105.1840	0.000	1	105.1840	0.000	1	105.1840	0.000	1	105.1840	0.000	1	104.8263	3.149	12	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:1:	4:4:4:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6]CH)(O[5]C[5,5])(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6]CH)(O[5]C[5,5])(H){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	106.3780	0.000	1	106.3780	0.000	1	106.4665	0.016	2	106.4665	0.016	2	104.8263	3.149	12	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:1:	4:4:4:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6a]C[6]H)(O[5]C[5,5])(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6a]C[6]H)(O[5]C[5,5])(H){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH){2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	106.5550	0.000	1	106.5550	0.000	1	106.4665	0.016	2	106.4665	0.016	2	104.8263	3.149	12	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5,6]	O[5]	3:4:2:4:	4:4:3:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3)	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[6a]C[5]H)(C[6]C[6]O)	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	102.2490	0.000	1	102.2490	0.000	1	102.2490	0.000	1	102.2490	0.000	1	104.8263	3.149	12	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5,6]	O[5]	4:3:3:2:	4:4:1:	4:4:	C[6]-4:N[5,6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6a]O[6]O)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[5]C[6]C)(H)	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5,6]HH)	C[5,6](C[6]C[6a]O[6]O)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[5]C[6]C)(H){2|O<2>,3|C<3>,4|H<1>}	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5,6]HH){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	106.7550	0.000	1	106.7550	0.000	1	106.7550	0.000	1	106.7550	0.000	1	104.8263	3.149	12	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5]	O[5,6]	3:2:3:1:	4:4:4:	4:4:	C[6,6a]-3:O[5,6]-2:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H)	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[5a]H)(SC[6a]OO)	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[5a]H)(SC[6a]OO){1|C<4>,1|O<2>,4|C<3>}	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C){1|H<1>,1|S<4>,3|C<3>}	100.5950	0.000	1	100.5950	0.000	1	100.5950	0.000	1	100.5950	0.000	1	100.5950	0.000	1	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5,6]	N[5]	O[5]	3:3:3:2:	4:4:4:	4:4:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]H)2(N[5]C[5]S)(O[5]C[5])	N[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(SC[6a]OO)	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]H)2(N[5]C[5]S)(O[5]C[5]){1|C<3>,6|H<1>}	N[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,4|H<1>}	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|S<4>,2|C<3>,4|H<1>}	102.2790	0.000	1	102.2790	0.000	1	102.2790	0.000	1	102.2790	0.000	1	102.2790	0.000	1	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:3:4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH){1|O<1>,2|C<4>,2|H<1>}	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){3|C<3>}	103.7750	0.080	3	103.7750	0.006	3	103.7750	0.006	3	103.7750	0.006	3	103.6297	1.046	18	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[3x5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]C[3x5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[3x5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]O[5]CH)(C[5]C[5]O){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5]C[3x5]HH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	103.0430	0.000	1	103.0430	0.000	1	103.0430	0.000	1	103.4292	0.111	10	103.6297	1.046	18	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	103.6490	0.000	1	103.4483	0.113	8	103.4721	0.104	9	103.4292	0.111	10	103.6297	1.046	18	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	103.5720	0.078	2	103.4483	0.113	8	103.4721	0.104	9	103.4292	0.111	10	103.6297	1.046	18	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	103.3180	0.462	4	103.4483	0.113	8	103.4721	0.104	9	103.4292	0.111	10	103.6297	1.046	18	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){3|C<3>}	103.5210	0.000	1	103.4483	0.113	8	103.4721	0.104	9	103.4292	0.111	10	103.6297	1.046	18	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,5|H<1>}	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	103.6630	0.000	1	103.6630	0.000	1	103.4721	0.104	9	103.4292	0.111	10	103.6297	1.046	18	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,5]	O[5]	3:2:4:4:	4:4:3:	4:4:	N[5,5]-3:O[5]-2:C-4:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|O<1>,2|C<3>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O){4|H<1>}	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|H<1>,2|C<3>}	102.6410	0.000	1	102.6410	0.000	1	102.6410	0.000	1	102.6410	0.000	1	103.6297	1.046	18	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,5]	O[5]	3:3:2:1:	4:4:3:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|S<2>,2|C<3>,5|H<1>}	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	102.9300	0.000	1	102.9300	0.000	1	102.9300	0.000	1	102.9300	0.000	1	103.6297	1.046	18	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,5]	O[5]	3:3:2:1:	4:4:4:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>}	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	105.9210	0.000	1	106.0850	0.054	2	106.0850	0.054	2	106.0850	0.054	2	103.6297	1.046	18	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,5]	O[5]	3:3:2:1:	4:4:4:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,4|H<1>}	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	106.2490	0.000	1	106.0850	0.054	2	106.0850	0.054	2	106.0850	0.054	2	103.6297	1.046	18	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,5]	O[5]	3:3:2:4:	4:4:3:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	N[5,5](C[5]C[6a]O[5]C)(C[5,5]C[5]2H)(C[5]C[5]O)	O[5](C[5]N[5,5]C[6a]C)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5,5](C[5]C[6a]O[5]C)(C[5,5]C[5]2H)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	O[5](C[5]N[5,5]C[6a]C)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	101.9760	0.000	1	101.9760	0.000	1	101.9760	0.000	1	101.9760	0.000	1	103.6297	1.046	18	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,6]	O[5]	3:2:1:1:	4:3:4:	4:4:	N[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	O[5](C[5]C[5,6]HH)(C[5]N[5,6]HH){1|H<1>,2|C<3>}	105.5035	0.353	2	105.5035	0.125	2	105.5035	0.125	2	105.5035	0.125	2	103.7650	2.884	5	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,6]	O[5]	3:2:4:1:	4:3:4:	4:4:	N[5,6]-3:O[5]-2:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]CH)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O[5](C[5]C[5,6]CH)(C[5]N[5,6]CH){1|H<1>,2|C<3>}	102.7510	0.000	1	102.7510	0.000	1	102.7510	0.000	1	102.7510	0.000	1	103.7650	2.884	5	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,6]	O[5]	3:2:4:4:	4:4:4:	4:4:	N[5,6]-3:O[5]-2:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CC)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CC){1|H<1>,2|C<3>,2|C<4>}	101.7250	0.000	1	101.7250	0.000	1	101.7250	0.000	1	101.7250	0.000	1	103.7650	2.884	5	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5,6]	O[5]	3:3:2:1:	4:4:4:	4:4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]HH)	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a]H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	103.3420	0.000	1	103.3420	0.000	1	103.3420	0.000	1	103.3420	0.000	1	103.7650	2.884	5	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:1:1:	4:4:4:	4:4:	N[5]-3:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](N[5]C[5,5]C)(O[5]C[5,5])(H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CC[6a]2H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)	C[5](N[5]C[5,5]C)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH){1|C<4>,2|C<3>,3|H<1>}	106.6005	0.588	2	106.6005	0.345	2	106.6005	0.345	2	106.2510	2.973	7	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:1:1:	4:4:4:	4:4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)	O[5](C[5]C[5]HH)(C[5]N[5]HH)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]HH){1|H<1>,2|C<4>}	105.2090	0.000	1	105.2090	0.000	1	106.4690	4.863	4	106.2510	2.973	7	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:1:1:	4:4:4:	4:4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	N[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH){1|C<3>,1|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH){1|C<4>,2|C<3>,2|H<1>}	108.2550	1.130	2	108.2550	1.277	2	106.4690	4.863	4	106.2510	2.973	7	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:1:1:	4:4:4:	4:4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3){1|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH){1|C<4>,1|H<1>,3|C<3>}	104.1570	0.000	1	104.1570	0.000	1	106.4690	4.863	4	106.2510	2.973	7	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:1:1:	4:4:4:	4:4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(H)2	N[5](C[5]C[5]CH)(C[5]O[5]HH)(SC[6a]OO)	O[5](C[5]C[5]CH)(C[5]N[5]HH)	C[5](N[5]C[5]S)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]HH)(SC[6a]OO){1|C<4>,1|H<1>}	O[5](C[5]C[5]CH)(C[5]N[5]HH){1|C<3>,1|H<1>,1|S<4>}	104.6800	0.000	1	104.6800	0.000	1	104.6800	0.000	1	106.2510	2.973	7	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:3:1:	4:3:2:	4:4:	N[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:	C[5](N[5]C[5]O)(O[5]C[5])(CCH)(H)	N[5](C[5]O[5]CH)(C[5]C[5]O)(OC)	O[5](C[5]C[5]CC)(C[5]N[5]CH)	C[5](N[5]C[5]O)(O[5]C[5])(CCH)(H){1|O<1>,2|C<4>}	N[5](C[5]O[5]CH)(C[5]C[5]O)(OC){2|C<4>}	O[5](C[5]C[5]CC)(C[5]N[5]CH){1|O<1>,1|O<2>}	100.8380	0.000	1	100.8380	0.000	1	100.8380	0.000	1	100.8380	0.000	1	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:3:1:	4:4:4:	4:4:	N[5]-3:O[5]-2:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](N[5]C[5,5]C)(O[5]C[5,5])(CC[6a]O)(H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH)	C[5](N[5]C[5,5]C)(O[5]C[5,5])(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH){1|N<3>,3|C<3>}	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH){1|C<4>,1|H<1>,5|C<3>}	106.3055	0.719	2	106.3055	0.517	2	106.3055	0.517	2	106.3055	0.517	2	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:4:1:	4:4:1:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H){4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H){1|N<3>,1|O<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	108.2310	0.000	1	108.2310	0.000	1	108.2310	0.000	1	108.2310	0.000	1	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5a]O)	O[5](C[5]C[5]CH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5a]O){1|C<4>,1|H<1>}	O[5](C[5]C[5]CH)(C[5]N[5]CH){1|H<1>,2|C<3>}	103.9400	0.000	1	103.9400	0.000	1	103.8540	0.006	3	103.8540	0.006	3	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:4:1:	4:4:3:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|C<4>,1|H<1>}	103.8110	0.021	2	103.8110	0.000	2	103.8540	0.006	3	103.8540	0.006	3	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:4:1:	4:4:4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CC3)(H)	N[5](C[5]C[5]CC)(C[5]O[5]CH)(SC[6a]OO)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]S)(O[5]C[5])(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]O[5]CH)(SC[6a]OO){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<4>}	103.0720	0.221	2	103.0720	0.049	2	103.8642	0.796	5	103.8062	0.657	6	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:4:1:	4:4:4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|H<1>,1|S<4>}	103.5670	0.000	1	103.5670	0.000	1	103.8642	0.796	5	103.8062	0.657	6	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:4:1:	4:4:4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|H<1>,1|S<4>}	104.8050	0.141	2	104.8050	0.020	2	103.8642	0.796	5	103.8062	0.657	6	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:4:1:	4:4:4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:Si-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H)	N[5](C[5]C[5]CC)(C[5]O[5]CH)(SiCOO)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]O[5]CH)(SiCOO){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|Si<4>,1|C<3>,1|C<4>}	103.5160	0.000	1	103.5160	0.000	1	103.5160	0.000	1	103.8062	0.657	6	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:4:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[5]-4:	C[5](N[5]C[5,6]S)(O[5]C[5,6])(CH3)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(SC[6a]OO)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]CC)	C[5](N[5]C[5,6]S)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]CC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	101.6770	0.000	1	101.6770	0.000	1	101.6770	0.000	1	101.6341	0.798	10	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:4:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3){1|C<4>,1|H<1>}	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<4>,2|H<1>}	102.6340	0.046	3	102.6340	0.002	3	102.6340	0.002	3	101.6341	0.798	10	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:4:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO)	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO){1|C<4>,1|H<1>}	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<4>,1|H<1>,1|S<4>}	102.5610	0.000	1	102.5610	0.000	1	101.1270	0.526	6	101.6341	0.798	10	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:4:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|H<1>,1|S<4>}	100.8177	0.233	3	100.8402	0.041	5	101.1270	0.526	6	101.6341	0.798	10	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:2:4:4:	4:4:4:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<4>,1|H<1>,1|S<4>}	100.8740	0.223	2	100.8402	0.041	5	101.1270	0.526	6	101.6341	0.798	10	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:3:3:	4:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,7|C<3>}	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC){4|C<3>}	104.1220	0.000	1	104.1220	0.000	1	104.1220	0.000	1	104.1220	0.000	1	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:3:4:	4:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,4|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]2H){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	103.5450	0.000	1	103.5450	0.000	1	103.5450	0.000	1	103.5450	0.000	1	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:1:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H){1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H){4|C<3>,4|H<1>}	107.4220	0.781	2	107.4220	0.609	2	107.4220	0.609	2	107.4220	0.609	2	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,1|N<3>,2|C<3>}	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	103.5830	0.389	2	103.5830	0.151	2	104.4229	0.484	7	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	104.8345	0.469	4	104.8345	0.220	4	104.4229	0.484	7	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5a]N[5a]S[5a])(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5a]N[5a]S[5a])(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>,2|C<4>}	104.4560	0.000	1	104.4560	0.000	1	104.4229	0.484	7	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]S)(O[5]C[5])(H)	N[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]S)(O[5]C[5])(H){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,2|H<1>,4|C<3>}	105.9240	0.000	1	105.9240	0.000	1	105.9240	0.000	1	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SCOO)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SCOO){1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H){1|S<4>,3|H<1>,4|C<3>}	103.5590	0.000	1	103.5590	0.000	1	104.4470	1.577	2	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SC[6a]OO)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H){1|S<4>,3|H<1>,4|C<3>}	105.3350	0.000	1	105.3350	0.000	1	104.4470	1.577	2	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]HH)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]HH){2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	105.1965	0.035	2	105.1965	0.001	2	103.9967	0.365	18	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	104.1660	0.000	1	104.1660	0.000	1	103.9967	0.365	18	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCHH)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCHH){2|C<2>,4|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	103.9463	0.097	3	103.9463	0.009	3	103.9967	0.365	18	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CC[6a]HH)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CC[6a]HH){2|C<2>,4|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	104.5290	0.000	1	104.5290	0.000	1	103.9967	0.365	18	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CH3)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CH3){2|C<2>,4|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	104.4570	0.000	1	104.4570	0.000	1	103.9967	0.365	18	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCCH)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCCH){1|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	104.0325	0.074	2	104.0325	0.006	2	103.9967	0.365	18	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	103.5530	0.000	1	103.5614	0.180	8	103.9967	0.365	18	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	103.4307	0.369	3	103.5614	0.180	8	103.9967	0.365	18	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	103.6615	0.546	4	103.5614	0.180	8	103.9967	0.365	18	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(SCOO)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(SCOO){1|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|S<4>,6|C<3>}	101.9340	0.000	1	101.9340	0.000	1	102.5390	1.555	4	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(SC[6a]OO)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(SC[6a]OO){1|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|S<4>,6|C<3>}	101.9065	0.050	2	101.9065	0.003	2	102.5390	1.555	4	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:1:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC[6a]OO)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC[6a]OO){2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,1|S<4>,3|C<3>}	104.4090	0.000	1	104.4090	0.000	1	102.5390	1.555	4	103.9961	0.943	32	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:4:	4:3:4:	4:4:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3)	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,3|C<3>,4|H<1>}	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	105.1290	0.000	1	105.1290	0.000	1	105.1290	0.000	1	105.1290	0.000	1	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:4:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[6a]HH)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[6a]HH){2|H<1>,4|C<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	104.4240	0.000	1	104.4240	0.000	1	104.7110	0.165	2	104.7110	0.165	2	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:2:4:	4:4:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	N[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(CC[6a]HH)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(CC[6a]HH){2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	104.9980	0.000	1	104.9980	0.000	1	104.7110	0.165	2	104.7110	0.165	2	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:3:2:	4:3:4:	4:4:	N[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5])	N[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	O[5](C[5]C[6a]2N[5])(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,6|C<3>,7|H<1>}	N[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,6|C<3>}	O[5](C[5]C[6a]2N[5])(C[5]C[5]CH){2|H<1>,5|C<3>}	105.7630	0.000	1	105.7630	0.000	1	105.7630	0.000	1	105.7630	0.000	1	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:3:2:	4:4:2:	4:4:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(OCo)	O[5](C[5]C[6]2N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Co<6>,2|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(OCo){2|C<3>,2|H<1>,2|N<3>}	O[5](C[5]C[6]2N[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|N<3>}	103.1195	0.453	4	103.1195	0.205	4	103.4286	0.581	8	103.4286	0.581	8	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:3:2:	4:4:2:	4:4:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(OFe)	O[5](C[5]C[6]2N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Fe<6>,2|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(OFe){2|C<3>,2|H<1>,2|N<3>}	O[5](C[5]C[6]2N[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|N<3>}	104.1447	0.593	3	104.1447	0.351	3	103.4286	0.581	8	103.4286	0.581	8	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:3:2:	4:4:2:	4:4:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(ONi)	O[5](C[5]C[6]2N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Ni<6>,2|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(ONi){2|C<3>,2|H<1>,2|N<3>}	O[5](C[5]C[6]2N[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|N<3>}	102.5170	0.000	1	102.5170	0.000	1	103.4286	0.581	8	103.4286	0.581	8	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:3:3:2:	4:4:4:	4:4:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5])	N[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(CCHH)	O[5](C[5]C[6a]2N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5]){1|Cl<1>,1|N<3>,4|C<3>,6|H<1>}	N[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(CCHH){2|H<1>,4|C<3>}	O[5](C[5]C[6a]2N[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	105.9770	0.696	4	105.9770	0.484	4	105.9770	0.484	4	105.9770	0.484	4	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:4:2:1:	4:4:4:	4:4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H)	N[5](C[5]C[5]HH)(C[5]O[5]CH)(SC[6a]OO)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]O[5]CH)(SC[6a]OO){1|C<3>,1|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH){1|S<4>,2|C<3>,2|H<1>}	105.1350	0.000	1	105.1350	0.000	1	104.4070	1.060	2	104.4070	1.060	2	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	3:4:2:1:	4:4:4:	4:4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO){2|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|H<1>,1|S<4>}	103.6790	0.000	1	103.6790	0.000	1	104.4070	1.060	2	104.4070	1.060	2	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	4:3:2:1:	4:4:4:	4:4:	C[3x6]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CC[6a]HH)	O[5](C[5]C[3x6]N[5]H)(C[5]C[5]HH)	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H){2|C<4>,4|H<1>,5|C<3>}	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[3x6]N[5]H)(C[5]C[5]HH){1|H<1>,2|C<3>,3|C<4>}	102.0900	0.000	1	102.0900	0.000	1	102.4445	0.251	2	102.4445	0.251	2	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	4:3:2:1:	4:4:4:	4:4:	C[3x6]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CH3)	O[5](C[5]C[3x6]N[5]H)(C[5]C[5]HH)	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H){2|C<4>,4|H<1>,5|C<3>}	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CH3){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[3x6]N[5]H)(C[5]C[5]HH){1|H<1>,2|C<3>,3|C<4>}	102.7990	0.000	1	102.7990	0.000	1	102.4445	0.251	2	102.4445	0.251	2	104.0831	2.887	87	104.2863	3.323	179
474	542	976	5:SP3_SP3_SP3	C[5]	N[5]	O[5]	4:3:3:2:	4:4:4:	4:4:	C[5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	N[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(CC[6a]HH)	O[5](C[5]C[6a]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){3|C<4>,4|C<3>,6|H<1>}	N[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]N[5])(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	103.3130	0.000	1	103.3130	0.000	1	103.3130	0.000	1	103.3130	0.000	1	104.0831	2.887	87	104.2863	3.323	179
474	542	976	6:SP3_SP3_SP3	C[5,6]	N[5,6]	O[5,6]	3:2:4:1:	4:3:4:	4:4:	N[5,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[5])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	O[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](N[5,6]C[5,6]C[5])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,4|H<1>}	O[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	107.6390	0.000	1	107.6390	0.000	1	107.6390	0.000	1	107.6390	0.000	1	107.6390	0.000	1	107.6390	0.000	1
474	542	979	0:SP3_SP2_SP2	C[5]	N[5]	Si	3:4:3:1:	4:3:4:	4:3:1:	N[5]-3:C[5]-4:Si-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:Si-3:I-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiI)(H)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	Si(C[5]C[5]N[5]H)(SiC[5]I)(I)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiI)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	Si(C[5]C[5]N[5]H)(SiC[5]I)(I)	130.3960	0.403	2	130.3960	0.162	2	130.3960	0.162	2	130.3960	0.162	2	130.3960	0.162	2	130.3960	0.162	2
474	542	983	0:SP3_SP1_SP2	C[5,6]	N[5,6]	C	3:4:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:N-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(CN)	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]O)(C[6]C[6]H)	C(C[5,6]C[6,6a]N[5,6]C[5])(N)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(CN){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C(C[5,6]C[6,6a]N[5,6]C[5])(N)	107.2940	0.000	1	107.2940	0.000	1	107.2940	0.000	1	107.4665	0.060	2	107.4665	0.060	2	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5,6]	N[5,6]	C	3:4:3:2:	4:3:3:	4:1:	N[5,6]-3:C[6]-4:C[5,6]-3:C-2:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-4:N-1:	C[5,6](N[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(CN)	N[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]N[5])(C[6]C[6]H)	C(C[5,6]C[5,6]N[5,6]C[6])(N)	C[5,6](N[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(CN){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]N[5])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6]N[5,6]C[6])(N)	107.6390	0.000	1	107.6390	0.000	1	107.6390	0.000	1	107.4665	0.060	2	107.4665	0.060	2	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5,6]	N[5]	C	4:4:3:2:	4:4:3:	4:1:	C[5,6]-4:C[6]-4:N[5]-3:C-2:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:N-1:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(CN)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)	C(C[5,6]C[5,6]C[6]N[5])(N)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(CN){2|C<3>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO){1|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(N)	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5,5]	C	3:4:2:1:	4:4:3:	4:1:	N[5,5]-3:C[5]-4:C-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:N-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CN)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)	C(C[5]N[5,5]C[5]H)(N)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CN)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O){2|O<2>,4|H<1>}	C(C[5]N[5,5]C[5]H)(N)	112.1540	0.000	1	112.1540	0.000	1	112.1540	0.000	1	112.1540	0.000	1	112.1540	0.000	1	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5,6]	C	3:3:2:2:	4:4:2:	4:1:	N[5,6]-3:C[5]-3:C-2:C-2:	C[5,6]-4:C[5]-4:N[6]-2:	C[5]-4:N-1:	C[5](N[5,6]C[5,6]N[6])(C[5]C[5]C)(CN)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(N[6]C[6])	C(C[5]N[5,6]C[5]C)(N)	C[5](N[5,6]C[5,6]N[6])(C[5]C[5]C)(CN)2{2|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(N[6]C[6]){3|C<3>,3|H<1>}	C(C[5]N[5,6]C[5]C)(N)	109.6677	1.709	4	109.6677	2.920	4	109.6677	2.920	4	109.6677	2.920	4	110.7840	8.420	5	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5,6]	C	4:3:2:1:	4:4:4:	4:1:	C[5]-4:N[5,6]-3:C-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:N-1:	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	C(C[5]N[5,6]C[5]H)(N)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C(C[5]N[5,6]C[5]H)(N)	115.2490	0.000	1	115.2490	0.000	1	115.2490	0.000	1	115.2490	0.000	1	110.7840	8.420	5	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	3:2:2:1:	4:3:3:	4:2:	N[5]-3:S[5]-2:C-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-2:	C[5](N[5]C[5]C)(S[5]C[5])(CC)(H)	N[5](C[5]S[5]CH)(C[5]C[5]O)(COO)	C(C[5]N[5]S[5]H)(CC[6a])	C[5](N[5]C[5]C)(S[5]C[5])(CC)(H){1|O<1>,2|H<1>}	N[5](C[5]S[5]CH)(C[5]C[5]O)(COO){2|H<1>}	C(C[5]N[5]S[5]H)(CC[6a])	111.6960	0.000	1	111.6960	0.000	1	111.6960	0.000	1	111.6960	0.000	1	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	3:3:2:1:	4:3:3:	4:1:	C[5,6a]-3:N[5]-3:C-2:F-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(F)	N[5](C[5]C[5,6a]CF)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C(C[5]C[5,6a]N[5]F)(N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(F){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CF)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5]F)(N)	111.8080	0.000	1	111.8080	0.000	1	111.8080	0.000	1	111.0420	1.174	2	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	3:3:2:1:	4:3:3:	4:1:	C[5,6a]-3:N[5]-3:C-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C(C[5]C[5,6a]N[5]H)(N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(N)	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	111.0420	1.174	2	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	3:3:2:1:	4:4:3:	4:2:	C[5,6a]-3:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C(C[5]C[5,6a]N[5]H)(CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)(H){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(CH)	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CC)	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H)	C(C[5]C[5,6a]C[6a]N[5])(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CC){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H){4|C<3>}	C(C[5]C[5,6a]C[6a]N[5])(CNO)	109.9940	0.000	1	109.9940	0.000	1	109.9940	0.000	1	109.9940	0.000	1	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	3:3:4:2:	3:4:1:	4:1:	C[5]-3:N[5]-3:C-4:C-2:	C[5]-3:C[5]-4:O-1:	C[5]-4:N-1:	C[5](C[5]C[5]N)(N[5]C[5]O)(CC[6a]HH)(CN)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(O)	C(C[5]C[5]N[5]C)(N)	C[5](C[5]C[5]N)(N[5]C[5]O)(CC[6a]HH)(CN){2|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(O){1|N<2>,3|C<3>}	C(C[5]C[5]N[5]C)(N)	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	3:3:4:2:	4:3:3:	4:1:	N[5]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:N-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C(C[5]C[6a]C[5]N[5])(N)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,6|H<1>}	C(C[5]C[6a]C[5]N[5])(N)	107.4690	0.000	1	107.4690	0.000	1	107.4690	0.000	1	107.4690	0.000	1	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	3:3:4:2:	4:3:4:	4:1:	N[5]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:N-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	C(C[5]C[6a]C[5]N[5])(N)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN){5|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){5|C<3>,5|H<1>}	C(C[5]C[6a]C[5]N[5])(N)	110.4420	0.000	1	110.4420	0.000	1	110.4420	0.000	1	110.4420	0.000	1	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	3:4:2:1:	3:4:2:	4:1:	N[5]-3:C[5]-4:C-2:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C(C[5]C[5]N[5]H)(N)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	C(C[5]C[5]N[5]H)(N)	111.7605	1.327	2	111.7605	1.762	2	111.7605	1.762	2	111.7605	1.762	2	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	3:4:2:1:	3:4:4:	4:1:	N[5]-3:C[5]-4:C-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CN)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C(C[5]C[5]N[5]H)(N)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CN)(H){1|C<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{2|C<3>,6|H<1>}	C(C[5]C[5]N[5]H)(N)	111.3205	0.655	2	111.3205	0.430	2	111.3205	0.430	2	111.3205	0.430	2	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	3:4:2:1:	4:3:4:	4:1:	N[5]-3:C[5]-4:C-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5]-4:N-1:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C(C[5]C[5]N[5]H)(N)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<2>,1|N<2>,3|C<3>,5|H<1>}	C(C[5]C[5]N[5]H)(N)	112.4420	0.000	1	112.4420	0.000	1	112.4420	0.000	1	112.4420	0.000	1	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	3:4:3:2:	4:3:4:	4:1:	C[5a]-3:C[5]-4:N[5]-3:C-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:N-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]C)(CN)	N[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[5]C[5a]C[5]N[5])(N)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]C)(CN){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	C(C[5]C[5a]C[5]N[5])(N)	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	3:4:3:2:	4:4:3:	4:1:	C[6a]-3:C[5]-4:N[5]-3:C-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:N-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CN)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O)	C(C[5]C[6a]C[5]N[5])(N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CN){1|Cl<1>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O){1|Cl<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(N)	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	4:3:2:1:	4:3:1:	4:1:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:N-1:	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C(C[5]C[5]N[5]H)(N)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CN)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|Si<4>,3|H<1>}	C(C[5]C[5]N[5]H)(N)	111.0170	0.000	1	111.0170	0.000	1	111.0170	0.000	1	111.0170	0.000	1	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	4:3:2:1:	4:4:3:	4:1:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N-1:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C(C[5]C[5]N[5]H)(N)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(N)	111.1450	0.000	1	111.1450	0.000	1	111.0040	0.040	2	111.0040	0.040	2	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	4:3:2:1:	4:4:3:	4:1:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(C[5]C[5]N[5]H)(N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	C(C[5]C[5]N[5]H)(N)	110.8630	0.000	1	110.8630	0.000	1	111.0040	0.040	2	111.0040	0.040	2	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	4:3:2:1:	4:4:3:	4:2:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C-2:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CCO)	C(C[5]C[5]N[5]H)(CH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CCO){4|H<1>}	C(C[5]C[5]N[5]H)(CH)	112.3140	0.000	1	112.3140	0.000	1	112.3140	0.000	1	112.3140	0.000	1	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	4:3:3:2:	3:4:1:	4:1:	C[5]-4:N[5]-3:C-3:C-2:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:N-1:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)(CN)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)	C(C[5]C[5]N[5]C)(N)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)(CN){1|C<4>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]N[5]C)(N)	109.7865	0.056	2	109.7865	0.003	2	109.7865	0.003	2	109.7865	0.003	2	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP2	C[5]	N[5]	C	4:3:3:2:	4:3:4:	4:1:	C[5]-4:N[5]-3:C-3:C-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(CN)	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C(C[5]C[5]N[5]C)(N)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(CN){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]C)(N)	110.5920	0.000	1	110.5920	0.000	1	110.5920	0.000	1	110.5920	0.000	1	110.7652	1.904	22	110.5296	3.350	31
474	542	983	0:SP3_SP1_SP3	C[5,5]	N[5]	C	4:4:3:2:	4:4:1:	4:1:	C[5,5]-4:C[5]-4:N[5]-3:C-2:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N-1:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[5]H)(CN)	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)	C(C[5,5]C[5,5]C[5]N[5])(N)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[5]H)(CN){2|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[5,5]C[5,5]C[5]N[5])(N)	112.9010	0.000	2	112.9010	0.000	2	112.9010	0.000	2	112.9010	0.000	2	112.9010	0.000	2	111.4626	4.762	18
474	542	983	0:SP3_SP1_SP3	C[5]	N[5,6]	C	3:4:2:1:	4:4:4:	4:2:	N[5,6]-3:C[5]-4:C-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:C-2:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C(C[5]N[5,6]C[5]H)(CH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC)(H){1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	C(C[5]N[5,6]C[5]H)(CH)	114.1910	0.000	1	114.1910	0.000	1	114.1910	0.000	1	114.1910	0.000	1	111.7600	6.982	10	111.4626	4.762	18
474	542	983	0:SP3_SP1_SP3	C[5]	N[5,6]	C	3:4:2:2:	4:4:3:	4:1:	N[5,6]-3:C[5]-4:C-2:C-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:N-1:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HN)(CN)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)	C(C[5]N[5,6]C[5]C)(N)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HN)(CN)2{2|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C(C[5]N[5,6]C[5]C)(N)	111.0745	4.793	2	111.0745	22.977	2	111.0968	10.079	4	111.0968	10.079	4	111.7600	6.982	10	111.4626	4.762	18
474	542	983	0:SP3_SP1_SP3	C[5]	N[5,6]	C	3:4:2:2:	4:4:3:	4:1:	N[5,6]-3:C[5]-4:C-2:C-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:N-1:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CN)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)	C(C[5]N[5,6]C[5]C)(N)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CN)2{3|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	C(C[5]N[5,6]C[5]C)(N)	111.1190	2.694	2	111.1190	7.258	2	111.0968	10.079	4	111.0968	10.079	4	111.7600	6.982	10	111.4626	4.762	18
474	542	983	0:SP3_SP1_SP3	C[5]	N[5,6]	C	4:3:2:1:	4:4:4:	4:1:	C[5]-4:N[5,6]-3:C-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:N-1:	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	C(C[5]N[5,6]C[5]H)(N)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C(C[5]N[5,6]C[5]H)(N)	111.8044	2.496	5	111.8044	6.231	5	111.8044	6.231	5	111.8044	6.231	5	111.7600	6.982	10	111.4626	4.762	18
474	542	983	0:SP3_SP1_SP3	C[5]	N[5]	C	3:3:3:2:	4:4:1:	4:2:	C[5,6a]-3:N[5]-3:C-3:C-2:	C[5]-4:S[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CNO)(CC)	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H)	C(C[5]C[5,6a]N[5]C)(CC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CNO)(CC){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H){2|C<3>}	C(C[5]C[5,6a]N[5]C)(CC[6a])	109.2860	0.000	1	109.2860	0.000	1	109.2860	0.000	1	109.2860	0.000	1	110.4875	1.477	6	111.4626	4.762	18
474	542	983	0:SP3_SP1_SP3	C[5]	N[5]	C	3:4:2:1:	4:3:4:	4:1:	N[5]-3:C[5]-4:C-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5]-4:N-1:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C(C[5]C[5]N[5]H)(N)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<2>,1|N<2>,3|C<3>,5|H<1>}	C(C[5]C[5]N[5]H)(N)	112.1610	0.000	1	112.1610	0.000	1	112.1610	0.000	1	112.1610	0.000	1	110.4875	1.477	6	111.4626	4.762	18
474	542	983	0:SP3_SP1_SP3	C[5]	N[5]	C	4:3:2:1:	3:4:1:	4:1:	C[5,6]-4:N[5]-3:C-2:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(CN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)	C(C[5]C[5,6]N[5]H)(N)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(CN)(H){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6]N[5]H)(N)	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	110.4875	1.477	6	111.4626	4.762	18
474	542	983	0:SP3_SP1_SP3	C[5]	N[5]	C	4:3:2:1:	4:4:4:	4:1:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N-1:	C[5](C[5]C[5]FF)(N[5]C[5]C)(CN)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC3)	C(C[5]C[5]N[5]H)(N)	C[5](C[5]C[5]FF)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC3){2|C<3>,2|F<1>,2|H<1>}	C(C[5]C[5]N[5]H)(N)	109.5550	0.004	2	109.5550	0.000	2	110.2530	1.462	3	110.2530	1.462	3	110.4875	1.477	6	111.4626	4.762	18
474	542	983	0:SP3_SP1_SP3	C[5]	N[5]	C	4:3:2:1:	4:4:4:	4:1:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H)	N[5](C[5]C[5]CH)2(CC[6a]3)	C(C[5]C[5]N[5]H)(N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]3){4|H<1>}	C(C[5]C[5]N[5]H)(N)	111.6490	0.000	1	111.6490	0.000	1	110.2530	1.462	3	110.2530	1.462	3	110.4875	1.477	6	111.4626	4.762	18
474	542	984	0:SP3_SP-NON_SP2	C[5]	N[5]	Ga	3:4:4:1:	4:3:4:	4:3:1:1:	N[5]-3:C[5]-4:Ga-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]Cl2)(H)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]Cl2)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)2	113.6010	0.000	1	113.6010	0.000	1	113.6010	0.000	1	112.9245	0.915	2	112.9245	0.915	2	112.9245	0.915	2
474	542	984	0:SP3_SP-NON_SP2	C[5]	N[5]	Ga	3:4:4:1:	4:3:4:	4:3:1:1:	N[5]-3:C[5]-4:Ga-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	112.2480	0.000	1	112.2480	0.000	1	112.2480	0.000	1	112.9245	0.915	2	112.9245	0.915	2	112.9245	0.915	2
474	542	984	0:SP3_SP-NON_SP3	C[5]	N[5]	Ga	3:4:4:1:	4:3:4:	4:3:1:1:	N[5]-3:C[5]-4:Ga-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	112.6920	0.000	1	112.6920	0.000	1	112.6920	0.000	1	114.9904	6.935	5	114.9904	6.935	5	114.9904	6.935	5
474	542	984	0:SP3_SP-NON_SP3	C[5]	N[5]	Ga	3:4:4:1:	4:3:4:	4:3:1:1:	N[5]-3:C[5]-4:Ga-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	115.5650	2.654	4	115.5650	7.045	4	115.5650	7.045	4	114.9904	6.935	5	114.9904	6.935	5	114.9904	6.935	5
474	542	992	0:SP3_SP2_SP3	C[5,5]	N[5,5]	P	3:3:3:4:	3:4:3:	4:2:2:1:	N[5,5]-3:C[5]-3:C[5]-3:P-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:O-2:O-2:O-1:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O)	P(C[5,5]N[5,5]C[5]2)(OC)2(O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3){1|Cl<1>,1|O<1>,2|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	P(C[5,5]N[5,5]C[5]2)(OC)2(O)	105.6530	0.000	1	105.6530	0.000	1	105.6530	0.000	1	105.6530	0.000	1	105.6530	0.000	1	109.2339	9.648	8
474	542	992	0:SP3_SP2_SP3	C[5]	N[5]	P	4:3:3:4:	4:3:1:	4:2:2:1:	C[5]-4:C[6a]-3:N[5]-3:P-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(PO3)	N[5](C[5]C[6a]C[5]P)(C[5]O[5]S)(H)	P(C[5]C[6a]C[5]N[5])(OC)2(O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(PO3){1|S<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]P)(C[5]O[5]S)(H){1|H<1>,3|C<3>}	P(C[5]C[6a]C[5]N[5])(OC)2(O)	110.8460	0.000	1	110.8460	0.000	1	110.8460	0.000	1	110.8460	0.000	1	109.7454	8.814	7	109.2339	9.648	8
474	542	992	0:SP3_SP2_SP3	C[5]	N[5]	P	4:3:4:1:	4:4:1:	4:2:2:1:	C[5]-4:N[5]-3:P-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(PO3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HP)(H)	P(C[5]C[5]N[5]H)(OC)2(O)	C[5](C[5]C[5]HH)(N[5]C[5]H)(PO3)(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HP)(H){3|C<3>,3|H<1>}	P(C[5]C[5]N[5]H)(OC)2(O)	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	109.7454	8.814	7	109.2339	9.648	8
474	542	992	0:SP3_SP2_SP3	C[5]	N[5]	P	4:3:4:1:	4:4:3:	4:2:2:1:	C[3x5,6]-4:N[5]-3:P-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:O-2:O-2:O-1:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(PO3)(H)	N[5](C[5]C[3x5,6]HP)(C[5]C[5,5,6]HH)(CCO)	P(C[5]C[3x5,6]N[5]H)(OC)2(O)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(PO3)(H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[3x5,6]HP)(C[5]C[5,5,6]HH)(CCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	P(C[5]C[3x5,6]N[5]H)(OC)2(O)	111.9415	3.024	2	111.9415	9.146	2	111.9415	9.146	2	112.1637	4.721	3	109.7454	8.814	7	109.2339	9.648	8
474	542	992	0:SP3_SP2_SP3	C[5]	N[5]	P	4:3:4:1:	4:4:3:	4:2:2:1:	C[5]-4:N[5]-3:P-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO)	P(C[5]C[5]N[5]H)(OC)2(O)	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO){1|C<4>,3|H<1>}	P(C[5]C[5]N[5]H)(OC)2(O)	112.6080	0.000	1	112.6080	0.000	1	112.6080	0.000	1	112.1637	4.721	3	109.7454	8.814	7	109.2339	9.648	8
474	542	992	0:SP3_SP2_SP3	C[5]	N[5]	P	4:3:4:4:	4:3:1:	4:2:2:1:	C[5]-4:N[5]-3:C-4:P-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3)	N[5](C[5]C[5]CP)(C[5]C[5]H)(O)	P(C[5]C[5]N[5]C)(OC)2(O)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3){3|H<1>}	N[5](C[5]C[5]CP)(C[5]C[5]H)(O){4|H<1>}	P(C[5]C[5]N[5]C)(OC)2(O)	106.2870	0.000	1	106.2870	0.000	1	106.2870	0.000	1	106.2870	0.000	1	109.7454	8.814	7	109.2339	9.648	8
474	542	992	0:SP3_SP2_SP3	C[5]	N[5]	P	4:3:4:4:	4:4:1:	4:2:2:1:	C[5]-4:N[5]-3:C-4:P-4:	C[5]-4:C[5]-4:O-1:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3)	N[5](C[5]C[5]CC)(C[5]C[5]CP)(O)	P(C[5]C[5]N[5]C)(OC)2(O)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]CP)(O){4|H<1>}	P(C[5]C[5]N[5]C)(OC)2(O)	106.6900	0.000	1	106.6900	0.000	1	106.6900	0.000	1	106.6900	0.000	1	109.7454	8.814	7	109.2339	9.648	8
474	542	992	0:SP3_SP3_SP3	C[5,5]	N[5,5]	P	3:3:3:4:	3:4:3:	4:2:2:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:P-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:O-2:O-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(PO3)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]P)(C[5]C[5,6a]O)	P(C[5,5]C[5,6a]N[5,5]C[5])(OC)2(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(PO3){1|H<1>,1|O<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]P)(C[5]C[5,6a]O){1|H<1>,1|O<1>,4|C<3>}	P(C[5,5]C[5,6a]N[5,5]C[5])(OC)2(O)	109.9060	0.000	1	109.9060	0.000	1	109.9060	0.000	1	107.7850	8.997	2	107.7850	8.997	2	107.5390	10.408	6
474	542	992	0:SP3_SP3_SP3	C[5,5]	N[5,5]	P	3:3:3:4:	3:4:3:	4:2:2:1:	N[5,5]-3:C[5]-3:C[5]-3:P-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:O-2:O-2:O-1:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O)	P(C[5,5]N[5,5]C[5]2)(OC)2(O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3){1|Cl<1>,1|O<1>,2|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	P(C[5,5]N[5,5]C[5]2)(OC)2(O)	105.6640	0.000	1	105.6640	0.000	1	105.6640	0.000	1	107.7850	8.997	2	107.7850	8.997	2	107.5390	10.408	6
474	542	992	0:SP3_SP3_SP3	C[5]	N[5]	P	3:4:4:1:	4:4:4:	4:3:3:1:	N[5]-3:C[5]-4:P-4:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:O-1:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(PC[6a]2O)(H)	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP)	P(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(O)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(PC[6a]2O)(H){1|C<4>,1|O<2>,5|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP){1|O<2>,2|C<4>,5|H<1>}	P(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(O)	107.9170	0.000	1	107.9170	0.000	1	107.9170	0.000	1	107.9170	0.000	1	107.4160	14.288	4	107.5390	10.408	6
474	542	992	0:SP3_SP3_SP3	C[5]	N[5]	P	4:3:4:1:	4:4:3:	4:2:2:1:	C[5]-4:N[5]-3:P-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO)	P(C[5]C[5]N[5]H)(OC)2(O)	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO){1|C<4>,3|H<1>}	P(C[5]C[5]N[5]H)(OC)2(O)	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	107.4160	14.288	4	107.5390	10.408	6
474	542	992	0:SP3_SP3_SP3	C[5]	N[5]	P	4:3:4:4:	4:4:1:	4:2:2:1:	C[5]-4:N[5]-3:C-4:P-4:	C[5]-4:C[5]-4:H-1:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(PO3)	N[5](C[5]C[5]CH)(C[5]C[5]CP)(H)	P(C[5]C[5]N[5]C)(OC)2(O)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(PO3){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]CP)(H){4|H<1>}	P(C[5]C[5]N[5]C)(OC)2(O)	104.4420	0.000	1	104.4420	0.000	1	104.4420	0.000	1	104.4420	0.000	1	107.4160	14.288	4	107.5390	10.408	6
474	542	992	0:SP3_SP3_SP3	C[5]	N[5]	P	4:3:4:4:	4:4:2:	4:2:2:1:	C[5]-4:N[5]-3:C-4:P-4:	C[5]-4:C[5]-4:O-2:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3)	N[5](C[5]C[5]CP)(C[5]C[5]HH)(OH)	P(C[5]C[5]N[5]C)(OC)2(O)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3){4|H<1>}	N[5](C[5]C[5]CP)(C[5]C[5]HH)(OH){4|H<1>}	P(C[5]C[5]N[5]C)(OC)2(O)	104.7340	0.000	1	104.7340	0.000	1	104.7340	0.000	1	104.7340	0.000	1	107.4160	14.288	4	107.5390	10.408	6
474	542	997	5:SP3_SP2_SP3	C[5,5]	N[5,5]	Se[5]	3:4:2:4:	4:4:2:	4:3:	N[5,5]-3:C[5]-4:Se[5]-2:C-4:	C[5,5]-4:P[5]-4:N[5]-2:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(CH3)	N[5,5](C[5,5]Se[5]C[5]C)(P[5]C[6a]C[5]Se)(N[5]C[5])	Se[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[5])	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(CH3){1|Se<1>,1|H<1>,3|C<3>}	N[5,5](C[5,5]Se[5]C[5]C)(P[5]C[6a]C[5]Se)(N[5]C[5]){3|H<1>,4|C<3>}	Se[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[5]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	102.0160	0.000	1	102.0160	0.000	1	102.0160	0.000	1	102.0160	0.000	1	102.0160	0.000	1	102.0160	0.000	1
474	542	997	5:SP3_SP3_SP3	C[5,5]	N[5,5]	Se[5]	3:4:2:1:	4:4:2:	4:3:	N[5,5]-3:C[5]-4:Se[5]-2:H-1:	C[5,5]-4:P[5]-4:N[5]-2:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(H)	N[5,5](C[5,5]Se[5]C[5]H)(P[5]C[6a]C[5]Se)(N[5]C[5])	Se[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]N[5])	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(H){1|Se<1>,1|H<1>,3|C<3>}	N[5,5](C[5,5]Se[5]C[5]H)(P[5]C[6a]C[5]Se)(N[5]C[5]){3|H<1>,4|C<3>}	Se[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]N[5]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	104.6690	0.000	1	104.6690	0.000	1	104.6690	0.000	1	104.6690	0.000	1	103.7375	1.735	2	104.2037	1.520	3
474	542	997	5:SP3_SP3_SP3	C[5,5]	N[5,5]	Se[5]	3:4:2:4:	4:4:2:	4:3:	N[5,5]-3:C[5]-4:Se[5]-2:C-4:	C[5,5]-4:P[5]-4:N[5]-2:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(CH3)	N[5,5](C[5,5]Se[5]C[5]C)(P[5]C[6a]C[5]Se)(N[5]C[5])	Se[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[5])	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(CH3){1|Se<1>,1|H<1>,3|C<3>}	N[5,5](C[5,5]Se[5]C[5]C)(P[5]C[6a]C[5]Se)(N[5]C[5]){3|H<1>,4|C<3>}	Se[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[5]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	102.8060	0.000	1	102.8060	0.000	1	102.8060	0.000	1	102.8060	0.000	1	103.7375	1.735	2	104.2037	1.520	3
474	542	997	5:SP3_SP3_SP3	C[5,6]	N[5]	Se[5]	3:2:2:3:	4:3:4:	4:3:	N[5]-3:Se[5]-2:Se[6]-2:C[6]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O)	N[5](C[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3)	Se[5](C[5,6]Se[6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O){1|C<4>,4|C<3>}	N[5](C[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	Se[5](C[5,6]Se[6]C[6]N[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	105.1360	0.000	1	105.1360	0.000	1	105.1360	0.000	1	105.1360	0.000	1	105.1360	0.000	1	104.2037	1.520	3
474	542	999	0:SP3_SP2_SP3	C[5,5]	N[5]	N[5]	4:3:4:1:	3:4:4:	4:4:4:2:	C[5,5]-4:N[5]-3:N[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)(OH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<3>,2|C<4>,2|H<1>}	112.9955	1.305	2	112.9955	1.702	2	112.9955	1.702	2	112.9955	1.702	2	112.9955	1.702	2	112.9955	1.702	2
474	542	999	5:SP3_SP2_SP3	C[5,5]	N[5]	N[5,5]	3:4:3:4:	4:3:3:	4:4:3:1:	C[5,6a]-3:N[5,5]-4:N[5]-3:C-4:	C[5,5]-4:C[6a]-3:C[5]-3:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3)	N[5](C[5,5]C[5,6a]N[5,5]C)(C[6a]C[6a]2)(C[5]N[5]S)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3){1|C<4>,1|H<1>,1|S<1>,2|O<2>,4|C<3>}	N[5](C[5,5]C[5,6a]N[5,5]C)(C[6a]C[6a]2)(C[5]N[5]S){1|B<4>,1|C<4>,3|H<1>,4|C<3>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H){1|S<1>,2|C<4>,3|C<3>}	98.6887	0.025	2	98.6887	0.001	2	98.6887	0.001	2	98.6887	0.001	2	98.6887	0.001	2	99.3531	0.323	14
474	542	999	5:SP3_SP2_SP3	C[5]	N[5]	N[5]	3:4:3:4:	4:3:4:	4:4:1:1:	C[6a]-3:N[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	99.3952	0.000	1	99.3952	0.000	1	99.3952	0.000	1	99.3952	0.000	1	99.4638	0.288	12	99.3531	0.323	14
474	542	999	5:SP3_SP2_SP3	C[5]	N[5]	N[5]	4:3:4:4:	4:3:4:	4:4:1:1:	N[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2	N[5](C[5]N[5]CC)(C[5]C[5]O)(CCHH)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]N[5]CC)(C[5]C[5]O)(CCHH){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	100.6100	0.000	1	100.6100	0.000	1	99.4701	0.316	11	99.4701	0.316	11	99.4638	0.288	12	99.3531	0.323	14
474	542	999	5:SP3_SP2_SP3	C[5]	N[5]	N[5]	4:3:4:4:	4:3:4:	4:4:1:1:	N[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	99.3561	0.438	10	99.3561	0.192	10	99.4701	0.316	11	99.4701	0.316	11	99.4638	0.288	12	99.3531	0.323	14
474	542	999	5:SP3_SP3_SP3	C[5,5]	N[5]	N[5,5]	3:4:3:1:	4:3:4:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H){2|O<2>,4|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,4|C<3>,5|H<1>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	105.0730	0.000	1	105.0730	0.000	1	105.0730	0.000	1	105.0730	0.000	1	106.6315	1.146	4	104.0782	7.557	13
474	542	999	5:SP3_SP3_SP3	C[5,5]	N[5]	N[5,5]	3:4:3:1:	4:4:1:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]CC)(H)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]CC)(H){1|B<4>,2|C<3>,3|H<1>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	106.8180	0.000	1	106.8180	0.000	1	107.1510	0.100	3	107.1510	0.100	3	106.6315	1.146	4	104.0782	7.557	13
474	542	999	5:SP3_SP3_SP3	C[5,5]	N[5]	N[5,5]	3:4:3:1:	4:4:1:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(H)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|O<2>,5|H<1>}	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(H){1|B<4>,2|C<3>,3|H<1>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	107.3175	0.182	2	107.3175	0.033	2	107.1510	0.100	3	107.1510	0.100	3	106.6315	1.146	4	104.0782	7.557	13
474	542	999	5:SP3_SP3_SP3	C[5,6,6]	N[5,6]	N[5,6]	4:4:3:1:	4:4:4:	4:4:4:4:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){4|C<4>,8|H<1>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|N<3>,5|H<1>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|N<3>,5|H<1>}	101.5210	0.000	1	101.4200	0.024	3	101.4200	0.024	3	101.4200	0.024	3	100.8664	1.242	4	104.0782	7.557	13
474	542	999	5:SP3_SP3_SP3	C[5,6,6]	N[5,6]	N[5,6]	4:4:3:1:	4:4:4:	4:4:4:4:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){5|C<4>,8|H<1>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	101.3695	0.180	2	101.4200	0.024	3	101.4200	0.024	3	101.4200	0.024	3	100.8664	1.242	4	104.0782	7.557	13
474	542	999	5:SP3_SP3_SP3	C[5,6,6]	N[5,6]	N[5,6]	4:4:3:4:	4:4:4:	4:4:4:1:	N[5,6]-4:C[3x6]-4:N[5,6]-3:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3)	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]CH)(C[6]C[6]HH)	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3){5|C<4>,8|H<1>}	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]CH)(C[6]C[6]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|N<4>,3|C<4>,3|H<1>}	99.2057	0.000	1	99.2057	0.000	1	99.2057	0.000	1	99.2057	0.000	1	100.8664	1.242	4	104.0782	7.557	13
474	542	999	5:SP3_SP3_SP3	C[5,6]	N[5,6]	N[5,6]	4:3:1:1:	4:4:4:	4:4:4:1:	N[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2{1|C<4>,8|H<1>}	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,5|H<1>}	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	103.2133	0.113	3	103.2133	0.013	3	103.2133	0.013	3	103.2133	0.013	3	103.2133	0.013	3	104.0782	7.557	13
474	542	999	5:SP3_SP3_SP3	C[5]	N[5]	N[5]	4:3:3:1:	4:4:1:	4:4:1:1:	N[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5](N[5]C[5,6]HH)(N[5]C[5,6]H)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5](N[5]C[5,6]HH)(N[5]C[5,6]H)(COO)(H){2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H){2|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{2|C<4>,4|H<1>}	107.0410	0.000	1	107.0410	0.000	1	107.0410	0.000	1	106.6925	0.243	2	106.6925	0.243	2	104.0782	7.557	13
474	542	999	5:SP3_SP3_SP3	C[5]	N[5]	N[5]	4:3:3:1:	4:4:1:	4:4:1:1:	N[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](N[5]C[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]HH)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{2|H<1>,3|C<3>}	106.3440	0.000	1	106.3440	0.000	1	106.3440	0.000	1	106.6925	0.243	2	106.6925	0.243	2	104.0782	7.557	13
474	542	999	6:SP3_SP3_SP3	C[5,6]	N[5,6]	N[5,6]	4:3:1:1:	4:4:4:	4:4:4:1:	N[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2{1|C<4>,8|H<1>}	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,5|H<1>}	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	102.0113	0.316	3	102.0113	0.100	3	102.0113	0.100	3	102.0113	0.100	3	102.0113	0.100	3	102.0113	0.100	3
474	562	562	5:SP3_SP3_SP3	C[5,5]	Si[5]	Si[5]	4:4:2:4:	3:4:4:4:	3:4:4:4:	Si[5]-4:Si[5]-4:Si[5]-2:C[5]-4:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH){2|Si<4>,2|C<3>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2{2|C<3>,3|H<1>,4|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2{2|C<3>,3|H<1>,4|C<4>}	101.4445	1.426	2	101.4445	2.034	2	101.4445	2.034	2	101.4445	2.034	2	101.4445	2.034	2	106.5423	24.772	7
474	562	562	5:SP3_SP3_SP3	C[5]	Si[5]	Si[5]	4:4:1:1:	3:4:4:4:	3:4:4:4:	Si[5]-4:Si[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](Si[5]C[5,6a]CC)2(H)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2	C[5](Si[5]C[5,6a]CC)2(H)2{2|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	105.5430	1.515	3	105.5430	2.295	3	105.5430	2.295	3	105.5430	2.295	3	108.5814	18.459	5	106.5423	24.772	7
474	562	562	5:SP3_SP3_SP3	C[5]	Si[5]	Si[5]	4:4:1:1:	4:4:4:4:	4:4:4:4:	Si[5]-4:Si[5]-4:H-1:H-1:	Si[5,5]-4:C[5]-4:C-4:C-4:	Si[5,5]-4:C[5]-4:C-4:C-4:	C[5](Si[5]Si[5,5]CC)2(H)2	Si[5](Si[5,5]Si[5,5]Si[5]Si)(C[5]Si[5]HH)(CH3)2	Si[5](Si[5,5]Si[5,5]Si[5]Si)(C[5]Si[5]HH)(CH3)2	C[5](Si[5]Si[5,5]CC)2(H)2{4|Si<4>}	Si[5](Si[5,5]Si[5,5]Si[5]Si)(C[5]Si[5]HH)(CH3)2{2|Si<4>,5|C<4>}	Si[5](Si[5,5]Si[5,5]Si[5]Si)(C[5]Si[5]HH)(CH3)2{2|Si<4>,5|C<4>}	113.1390	0.082	2	113.1390	0.007	2	113.1390	0.007	2	113.1390	0.007	2	108.5814	18.459	5	106.5423	24.772	7
474	562	643	0:SP3_SP2_SP3	C[5,5]	Si[5]	C[6a]	3:4:3:3:	4:2:4:4:	4:3:3:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	C[5,5]-4:N[5]-2:C-4:C-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])(CH3)2	C[6a](C[5,5]C[5,5]Si[5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,2|H<1>,5|C<3>}	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])(CH3)2{1|N<3>,2|C<4>,3|C<3>}	C[6a](C[5,5]C[5,5]Si[5]C[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>,3|C<4>}	117.2730	0.000	1	117.2730	0.000	1	117.2730	0.000	1	117.2730	0.000	1	116.7210	0.609	2	116.4394	25.843	11
474	562	643	0:SP3_SP2_SP3	C[5,5]	Si[5]	C[6a]	3:4:3:3:	4:3:4:4:	4:3:3:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C-4:C-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]H)(CH3)2	C[6a](C[5,5]C[5,5]Si[5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,3|H<1>,5|C<3>}	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>}	C[6a](C[5,5]C[5,5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>,3|C<4>}	116.1690	0.000	1	116.1690	0.000	1	116.1690	0.000	1	116.1690	0.000	1	116.7210	0.609	2	116.4394	25.843	11
474	562	643	0:SP3_SP2_SP3	C[5]	Si[5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H)	Si[5](C[5]C[5,6a]C[6a]H)2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H){4|H<1>,9|C<3>}	Si[5](C[5]C[5,6a]C[6a]H)2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	121.7980	1.532	2	121.7980	2.346	2	121.7980	2.346	2	121.7980	2.346	2	116.3768	32.204	9	116.4394	25.843	11
474	562	643	0:SP3_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:2:1:	3:4:4:4:	4:3:3:	Si[5]-4:C[6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](Si[5]C[5,6a]CC)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)2	C[6a](C[5]Si[5]S[5]H)(C[6a]C[6a]H)2	C[5](Si[5]C[5,6a]CC)(C[6a]C[6a]2)(S[5]C[5,6a])(H){2|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)2{1|H<1>,4|C<3>}	C[6a](C[5]Si[5]S[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	113.0850	0.000	1	113.0850	0.000	1	113.0850	0.000	1	113.0850	0.000	1	116.3768	32.204	9	116.4394	25.843	11
474	562	643	0:SP3_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:1:	4:4:3:3:	4:3:3:	Si[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:N-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H)	Si[5](C[5]C[6a]C[5]H)2(NCC)2	C[6a](C[5]Si[5]C[5]H)(C[6a]C[6a]H)2	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	Si[5](C[5]C[6a]C[5]H)2(NCC)2{2|H<1>,4|C<3>}	C[6a](C[5]Si[5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	122.4640	1.199	2	122.4640	1.438	2	122.4640	1.438	2	122.4640	1.438	2	116.3768	32.204	9	116.4394	25.843	11
474	562	643	0:SP3_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:4:	4:4:3:1:	4:3:3:	Si[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:N[6]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)2(C[5]C[5]HH)	Si[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]2C[5])(N[6]C[6]2)(O)	C[6a](C[5]C[6a]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)2(C[5]C[5]HH){6|H<1>,8|C<3>}	Si[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]2C[5])(N[6]C[6]2)(O){10|C<3>,6|H<1>}	C[6a](C[5]C[6a]Si[5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	111.4740	2.862	2	111.4740	8.193	2	111.4740	8.193	2	111.4740	8.193	2	116.3768	32.204	9	116.4394	25.843	11
474	562	643	0:SP3_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:4:3:	4:4:3:1:	4:3:3:	Si[5]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:N[6]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2)	Si[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]2C[5])(N[6]C[6]2)(O)	C[6a](C[5]Si[5]C[5]C[6])(C[6a]C[6a]H)2	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2){6|H<1>,8|C<3>}	Si[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]2C[5])(N[6]C[6]2)(O){10|C<3>,6|H<1>}	C[6a](C[5]Si[5]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	116.3768	32.204	9	116.4394	25.843	11
474	562	643	0:SP3_SP2_SP3	C[5]	Si[5]	C[6a]	4:4:3:1:	3:4:4:4:	4:3:3:	C[5]-4:Si[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(CH3)2	C[6a](C[5]Si[5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(CH3)2{1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5]Si[5]C[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|C<4>,3|C<3>,3|H<1>}	112.9430	0.000	1	112.9430	0.000	1	112.9430	0.000	1	112.9430	0.000	1	116.3768	32.204	9	116.4394	25.843	11
474	562	727	0:SP3_SP2_SP3	C[5,5,6,6]	Si[5]	C[5,6,6a]	3:3:4:4:	4:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:Si[5]-4:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2C[5])(Si[5]C[6a]2C[5])	Si[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]Si[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2C[5])(Si[5]C[6a]2C[5]){13|C<3>,3|H<1>}	Si[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(C[5]C[5]HH){11|C<3>,1|H<1>,4|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]Si[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,2|C<4>}	103.5590	0.000	1	103.5590	0.000	1	103.5590	0.000	1	111.6540	131.058	2	111.6540	131.058	2	110.8961	26.880	7
474	562	727	0:SP3_SP2_SP3	C[5,5,6,6]	Si[5]	C[5,6,6a]	3:3:4:4:	4:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:Si[5]-4:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2C[5])(Si[5]C[6a]2C[5])	Si[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]Si[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2C[5])(Si[5]C[6a]2C[5]){13|C<3>,3|H<1>}	Si[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(C[5]C[5]HH){11|C<3>,1|H<1>,4|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]Si[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,2|C<4>}	119.7490	0.000	1	119.7490	0.000	1	119.7490	0.000	1	111.6540	131.058	2	111.6540	131.058	2	110.8961	26.880	7
474	562	727	0:SP3_SP2_SP3	C[5,5]	Si[5]	C[5,6a]	3:3:4:2:	3:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:O[5]-2:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]CC)(O[5]C[5,6a])	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2O[5])(CH3)2	C[5,6a](C[5,5]C[5,6a]Si[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]CC)(O[5]C[5,6a]){2|H<1>,6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2O[5])(CH3)2{1|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]Si[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	111.2305	0.394	2	111.2305	0.155	2	111.2305	0.155	2	111.2305	0.155	2	111.2305	0.155	2	110.8961	26.880	7
474	562	727	0:SP3_SP2_SP3	C[5]	Si[5]	C[5,6a]	3:3:4:1:	4:3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[6a]C[5]2)(H)	Si[5](C[5]C[5,6a]2H)(C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[6a]C[5]2)(H){10|C<3>,2|H<1>}	Si[5](C[5]C[5,6a]2H)(C[5]C[6a]C[5])2(C[6a]C[6a]2){12|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	112.2775	0.637	2	112.2775	0.406	2	112.2775	0.406	2	112.2775	0.406	2	110.1680	13.553	3	110.8961	26.880	7
474	562	727	0:SP3_SP2_SP3	C[5]	Si[5]	C[5,6a]	3:4:3:1:	3:3:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Si[5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H){2|H<1>,6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]H)(CCHH){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Si[5]C[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	105.9490	0.000	1	105.9490	0.000	1	105.9490	0.000	1	105.9490	0.000	1	110.1680	13.553	3	110.8961	26.880	7
474	562	727	5:SP3_SP2_SP3	C[5,5,6]	Si[5,5]	C[5,6,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]H)(H)	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]H)(H){3|H<1>,6|C<3>}	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(H){2|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	96.7872	3.241	4	96.7872	10.507	4	96.7872	10.507	4	96.7872	10.507	4	97.1099	6.454	8	100.7088	17.202	19
474	562	727	5:SP3_SP2_SP3	C[5,5,6]	Si[5,5]	C[5,6,6a]	3:3:4:1:	4:4:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C-4:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]C)(H)	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(CH3)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]C)(H){3|H<1>,6|C<3>}	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(CH3){8|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	97.4326	2.067	4	97.4326	4.274	4	97.4326	4.274	4	97.4326	4.274	4	97.1099	6.454	8	100.7088	17.202	19
474	562	727	5:SP3_SP2_SP3	C[5,6]	Si[5,6]	C[5,6a]	4:3:4:3:	4:4:3:4:	4:3:3:	Si[5,6]-4:C[5,6a]-3:C[6]-4:B-3:	C[5,6]-4:C[5]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(BOO)	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6]Si[5,6]C[6]B)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(BOO){1|C<4>,6|C<3>,7|H<1>}	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6]Si[5,6]C[6]B)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	103.1320	0.000	1	103.1320	0.000	1	103.1320	0.000	1	103.1320	0.000	1	103.1320	0.000	1	100.7088	17.202	19
474	562	727	5:SP3_SP2_SP3	C[5]	Si[5,5]	C[5,6a]	3:4:4:4:	4:4:3:4:	3:4:3:	C[5,6a]-3:Si[5,5]-4:C-4:C-4:	Si[5]-4:C[5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]Si[5]C[5]2)(CH3)2	Si[5,5](Si[5]C[5,6a]C[5]H)(C[5]C[5,6a]CC)(C[5]C[5,6]N)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]Si[5,5]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]Si[5]C[5]2)(CH3)2{1|N<2>,2|H<1>,3|C<3>,4|C<4>}	Si[5,5](Si[5]C[5,6a]C[5]H)(C[5]C[5,6a]CC)(C[5]C[5,6]N)(C[5]C[5]CC){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]Si[5,5]CC)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	108.0780	0.000	1	108.0780	0.000	1	108.0780	0.000	1	108.0780	0.000	1	108.0780	0.000	1	100.7088	17.202	19
474	562	727	5:SP3_SP2_SP3	C[5]	Si[5,6]	C[5,6a]	4:3:1:1:	3:4:3:4:	3:4:3:	Si[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H)	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,3|H<1>,5|C<3>}	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	102.5800	0.000	1	102.5800	0.000	1	102.5800	0.000	1	102.5800	0.000	1	103.7195	2.597	2	100.7088	17.202	19
474	562	727	5:SP3_SP2_SP3	C[5]	Si[5,6]	C[5,6a]	4:3:1:1:	4:4:3:4:	3:4:3:	Si[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H)	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|B<3>,2|C<4>,3|H<1>,4|C<3>}	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	104.8590	0.000	1	104.8590	0.000	1	104.8590	0.000	1	104.8590	0.000	1	103.7195	2.597	2	100.7088	17.202	19
474	562	727	5:SP3_SP2_SP3	C[5]	Si[5]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:Si[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(Si[5]C[5]CC)(H)2	Si[5](C[5]C[5,6a]HH)2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]Si[5]HH)	C[5](C[5,6a]C[5,6a]2)(Si[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	Si[5](C[5]C[5,6a]HH)2(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]Si[5]HH){1|Si<4>,1|C<3>,4|C<4>,4|H<1>}	104.3084	0.796	5	104.3084	0.634	5	104.3084	0.634	5	104.3084	0.634	5	102.5627	9.313	7	100.7088	17.202	19
474	562	727	5:SP3_SP2_SP3	C[5]	Si[5]	C[5,6a]	3:4:3:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H)	Si[5](C[5]C[5,6a]C[6a]H)2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]Si[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H){4|H<1>,9|C<3>}	Si[5](C[5]C[5,6a]C[6a]H)2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]Si[5]H)(C[6a]C[6a]H){3|H<1>,6|C<3>}	98.1985	0.111	2	98.1985	0.012	2	98.1985	0.012	2	98.1985	0.012	2	102.5627	9.313	7	100.7088	17.202	19
474	562	762	0:SP3_SP2_SP3	C[5,6]	Si[5,5]	C[6]	4:3:3:1:	4:4:4:2:	4:3:1:	Si[5,5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5])	C[6](C[5,6]Si[5,5]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H){4|Si<4>,2|C<3>,2|C<4>,2|H<1>}	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5]){3|C<3>,5|H<1>}	C[6](C[5,6]Si[5,5]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	125.4710	0.000	1	125.4710	0.000	1	125.4710	0.000	1	125.4710	0.000	1	125.4710	0.000	1	118.3750	55.131	4
474	562	762	0:SP3_SP2_SP3	C[5,6]	Si[5,6]	C[6]	4:3:3:1:	4:3:3:3:	4:3:1:	Si[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:N[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N)	C[6](C[5,6]Si[5,6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,6|C<3>}	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N){1|C<4>,1|H<1>,9|C<3>}	C[6](C[5,6]Si[5,6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|N<3>}	124.1000	0.000	1	124.1000	0.000	1	124.1000	0.000	1	124.1000	0.000	1	124.1000	0.000	1	118.3750	55.131	4
474	562	762	0:SP3_SP2_SP3	C[5,6]	Si[5]	C[6]	4:4:3:1:	4:2:4:4:	4:3:1:	C[5,6,6]-4:Si[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H)	Si[5](C[5,6]C[5,6,6]C[6]H)(O[5]Si[5,6])(CH3)2	C[6](C[5,6]C[5,6,6]Si[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	Si[5](C[5,6]C[5,6,6]C[6]H)(O[5]Si[5,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[6](C[5,6]C[5,6,6]Si[5]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|O<2>,4|C<4>}	111.7690	0.000	1	111.7690	0.000	1	111.7690	0.000	1	111.7690	0.000	1	111.7690	0.000	1	118.3750	55.131	4
474	562	762	0:SP3_SP2_SP3	C[5]	Si[5]	C[6]	4:3:4:3:	4:4:3:1:	4:3:3:	Si[5]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2)	Si[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]2C[5])(N[6]C[6]2)(O)	C[6](C[5]C[6a]Si[5]C[5])(C[6]C[6]H)2	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2){6|H<1>,8|C<3>}	Si[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]2C[5])(N[6]C[6]2)(O){10|C<3>,6|H<1>}	C[6](C[5]C[6a]Si[5]C[5])(C[6]C[6]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	118.3750	55.131	4
474	562	762	6:SP3_SP2_SP3	C[5,6,6]	Si[5,6]	C[6,6]	4:4:3:4:	4:2:2:2:	4:3:3:	C[5,6]-4:Si[5,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:N[6]-2:O[5]-2:N-2:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	C[5,6,6](C[5,6]Si[5]C[6]H)(Si[5,6]N[6]O[5]N)(C[6,6]N[5,6]C[6])(CCCH)	Si[5,6](C[5,6,6]C[5,6]C[6,6]C)(N[6]C[5,6])(O[5]Si[5])(NC[5])	C[6,6](C[5,6,6]Si[5,6]C[5,6]C)(N[5,6]C[5,6]C[5])(C[6]C[6]C)	C[5,6,6](C[5,6]Si[5]C[6]H)(Si[5,6]N[6]O[5]N)(C[6,6]N[5,6]C[6])(CCCH){1|H<1>,3|C<3>,3|C<4>}	Si[5,6](C[5,6,6]C[5,6]C[6,6]C)(N[6]C[5,6])(O[5]Si[5])(NC[5]){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6,6](C[5,6,6]Si[5,6]C[5,6]C)(N[5,6]C[5,6]C[5])(C[6]C[6]C){1|Si<4>,1|N<3>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1
474	562	770	0:SP3_SP2_SP3	C[5,6]	Si[5,6]	B	4:3:4:3:	4:4:3:4:	4:2:2:	Si[5,6]-4:C[5,6a]-3:C[6]-4:B-3:	C[5,6]-4:C[5]-4:C[6a]-3:C[6]-4:	C[5,6]-4:O-2:O-2:	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(BOO)	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	B(C[5,6]C[5,6a]Si[5,6]C[6])(OH)2	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(BOO){1|C<4>,6|C<3>,7|H<1>}	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	B(C[5,6]C[5,6a]Si[5,6]C[6])(OH)2	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1
474	562	778	5:SP3_SP3_SPD5	C[5]	Si[5]	C[3x3,4,3x5,9x6]	5:4:1:1:	4:4:4:4:	6:6:5:7:4:	C[3x3,4,3x5,9x6]-5:Si[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	B[4x3,4,6x5,20x6]-6:B[5x3,4x5,15x6]-6:C[3x3,4,3x5,9x6]-5:B[6x3,7x5,24x6]-7:C[5]-4:	C[5](C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6])(Si[5]C[5]CC)(H)2	Si[5](C[5]C[3x3,4,3x5,9x6]HH)2(CH3)2	C[3x3,4,3x5,9x6](B[4x3,4,6x5,20x6]B[4x3,4,6x5,20x6]B[5x3,3x5,21x6]B[5x3,4x5,15x6]B[5x3,4x5,16x6]H)(B[5x3,4x5,15x6]B[4x3,4,6x5,20x6]B[5x3,4x5,16x6]B[5x3,4x5,17x6]B[6x3,7x5,24x6]H)(C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6]C[5])(B[6x3,7x5,24x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]2B[5x3,4x5,17x6]2H)(C[5]Si[5]HH)	C[5](C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6])(Si[5]C[5]CC)(H)2{5|H<1>,6|B<6>}	Si[5](C[5]C[3x3,4,3x5,9x6]HH)2(CH3)2{1|B<7>,4|B<6>}	C[3x3,4,3x5,9x6](B[4x3,4,6x5,20x6]B[4x3,4,6x5,20x6]B[5x3,3x5,21x6]B[5x3,4x5,15x6]B[5x3,4x5,16x6]H)(B[5x3,4x5,15x6]B[4x3,4,6x5,20x6]B[5x3,4x5,16x6]B[5x3,4x5,17x6]B[6x3,7x5,24x6]H)(C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6]C[5])(B[6x3,7x5,24x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]2B[5x3,4x5,17x6]2H)(C[5]Si[5]HH){2|B<6>,2|C<4>,8|H<1>}	104.3740	0.123	2	104.3740	0.015	2	104.3740	0.015	2	104.3740	0.015	2	104.3740	0.015	2	104.3740	0.015	2
474	562	818	0:SP3_SP2_SP3	C[5,5]	Si[5]	C[5]	3:4:3:3:	4:2:4:4:	4:3:3:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	C[5,5]-4:N[5]-2:C-4:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])(CH3)2	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr)	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,2|H<1>,5|C<3>}	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])(CH3)2{1|N<3>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr){1|N<2>,2|C<4>,2|H<1>,6|C<3>}	119.6980	0.000	1	119.6980	0.000	1	119.6980	0.000	1	119.6980	0.000	1	117.7055	5.948	4	116.0778	10.970	6
474	562	818	0:SP3_SP2_SP3	C[5,5]	Si[5]	C[5]	3:4:3:3:	4:3:4:4:	4:3:3:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C-4:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]H)(CH3)2	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr)	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,3|H<1>,5|C<3>}	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	119.9340	0.000	1	119.9340	0.000	1	119.9340	0.000	1	119.9340	0.000	1	117.7055	5.948	4	116.0778	10.970	6
474	562	818	0:SP3_SP2_SP3	C[5,5]	Si[5]	C[5]	3:4:3:4:	4:3:4:4:	4:3:4:	C[5,5]-3:Si[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3)	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3){1|Cl<1>,3|C<4>}	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2{1|Cl<1>,1|C<4>,2|C<3>}	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3){1|N<3>,1|P<3>,3|C<4>}	115.5950	0.000	2	115.5950	0.000	2	115.5950	0.000	2	115.5950	0.000	2	117.7055	5.948	4	116.0778	10.970	6
474	562	818	0:SP3_SP2_SP3	C[5]	Si[5]	C[5]	3:4:3:1:	3:3:4:4:	4:3:4:	C[5,6a]-3:Si[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]H)(CCHH)	C[5](C[5]C[5,6a]Si[5]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H){2|H<1>,6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]H)(CCHH){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]Si[5]H)(C[5]C[5,6a]H)(CH3){1|C<4>,4|C<3>}	111.2080	0.000	1	111.2080	0.000	1	111.2080	0.000	1	111.2080	0.000	1	112.8225	5.213	2	116.0778	10.970	6
474	562	818	0:SP3_SP2_SP3	C[5]	Si[5]	C[5]	4:4:3:1:	3:4:4:4:	4:3:1:	Si[5]-4:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2	C[5](C[5]Si[5]C[5]H)(C[5]C[5]H)(H)	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[5](C[5]Si[5]C[5]H)(C[5]C[5]H)(H){2|C<3>,2|H<1>,3|C<4>}	114.4370	0.000	1	114.4370	0.000	1	114.4370	0.000	1	114.4370	0.000	1	112.8225	5.213	2	116.0778	10.970	6
474	562	818	5:SP3_SP2_SP3	C[5,5,6]	Si[3x5]	C[5,6,6]	3:4:3:1:	4:4:4:4:	4:4:3:	C[5,6,6]-3:Si[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5])	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){5|Si<4>,2|C<3>,2|C<4>,3|H<1>}	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2{1|Si<4>,1|C<3>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5]){1|O<2>,2|H<1>,4|C<3>,4|C<4>}	105.3410	0.000	1	105.3410	0.000	1	105.3410	0.000	1	105.3410	0.000	1	105.3410	0.000	1	100.8077	13.967	18
474	562	818	5:SP3_SP2_SP3	C[5,5,6]	Si[3x5]	C[5,6]	3:4:3:1:	4:4:4:4:	4:3:1:	C[5,6,6]-3:Si[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2	C[5,6](C[5,5,6]C[5,6,6]Si[3x5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){5|Si<4>,2|C<3>,2|C<4>,3|H<1>}	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2{1|Si<4>,1|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,6,6]Si[3x5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	94.9287	0.000	1	94.9287	0.000	1	94.9287	0.000	1	94.9287	0.000	1	94.8385	0.016	2	100.8077	13.967	18
474	562	818	5:SP3_SP2_SP3	C[5,5,6]	Si[3x5]	C[5,6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[5,6,6]-4:Si[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2	C[5,6](C[5,5,6]C[5,6,6]Si[3x5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){4|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2{1|Si<4>,1|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,6,6]Si[3x5]H)(C[5,6]C[5,5,6]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	94.7483	0.000	1	94.7483	0.000	1	94.7483	0.000	1	94.7483	0.000	1	94.8385	0.016	2	100.8077	13.967	18
474	562	818	5:SP3_SP2_SP3	C[5,5]	Si[5,5]	C[5]	4:4:3:4:	4:4:3:4:	4:2:4:	Si[5,5]-4:C[5]-4:C[5]-3:Si-4:	C[5,5]-4:C[5]-4:N[5]-3:Si-4:	C[5,5]-4:N[5]-2:Si-4:	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3)	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3)	C[5](C[5,5]Si[5,5]C[5]Si)(N[5]N[5])(SiC3)	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3){2|Si<4>,3|H<1>}	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3){1|Si<4>,4|H<1>}	C[5](C[5,5]Si[5,5]C[5]Si)(N[5]N[5])(SiC3){1|Si<4>,2|C<4>,3|H<1>}	100.3550	0.000	1	100.3550	0.000	1	100.3550	0.000	1	100.3550	0.000	1	100.3550	0.000	1	100.8077	13.967	18
474	562	818	5:SP3_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:4:3:3:	4:2:4:4:	4:4:3:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	C[5,5]-4:N[5]-2:C-4:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])(CH3)2	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C)	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,2|H<1>,5|C<3>}	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])(CH3)2{1|N<3>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C){2|C<4>,3|C<3>}	99.6882	0.000	1	99.6882	0.000	1	99.6882	0.000	1	99.6882	0.000	1	97.5309	8.694	4	100.8077	13.967	18
474	562	818	5:SP3_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:4:3:3:	4:3:4:4:	4:4:3:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C-4:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]H)(CH3)2	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C)	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,3|H<1>,5|C<3>}	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	100.4520	0.000	1	100.4520	0.000	1	100.4520	0.000	1	100.4520	0.000	1	97.5309	8.694	4	100.8077	13.967	18
474	562	818	5:SP3_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:4:3:4:	4:3:4:4:	4:3:3:	C[5,5]-3:Si[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:C-4:C-4:	C[5,5]-4:P[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3)	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2	C[5,5](C[5,5]Si[5]C[5]C)(P[5]N[5]Cl)(C[5]C[5]C)	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3){1|Cl<1>,3|C<4>}	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2{1|Cl<1>,1|C<4>,2|C<3>}	C[5,5](C[5,5]Si[5]C[5]C)(P[5]N[5]Cl)(C[5]C[5]C){5|C<4>}	94.9917	0.000	2	94.9917	0.000	2	94.9917	0.000	2	94.9917	0.000	2	97.5309	8.694	4	100.8077	13.967	18
474	562	818	5:SP3_SP2_SP3	C[5,6]	Si[5,5]	C[5,6]	4:3:3:1:	4:4:4:2:	4:3:3:	Si[5,5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5])	C[5,6](C[5,6]Si[5,5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H)	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H){4|Si<4>,2|C<3>,2|C<4>,2|H<1>}	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5]){3|C<3>,5|H<1>}	C[5,6](C[5,6]Si[5,5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	101.9760	0.000	1	101.9760	0.000	1	101.9760	0.000	1	101.9760	0.000	1	101.9760	0.000	1	100.8077	13.967	18
474	562	818	5:SP3_SP2_SP3	C[5,6]	Si[5,6]	C[5,6]	4:3:3:1:	4:3:3:3:	4:3:3:	Si[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:N[6]-3:N[5]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N)	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H)	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,6|C<3>}	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N){1|C<4>,1|H<1>,9|C<3>}	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H){2|H<1>,3|C<3>,3|N<3>}	103.6910	0.000	1	103.6910	0.000	1	103.6910	0.000	1	103.6910	0.000	1	103.6910	0.000	1	100.8077	13.967	18
474	562	818	5:SP3_SP2_SP3	C[5]	Si[5,6]	C[5]	4:3:1:1:	3:3:4:4:	4:3:4:	Si[5,6]-4:C[5]-3:H-1:H-1:	N[6]-3:N[6]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](Si[5,6]C[5]N[6]2)(C[5]C[5]C)(H)2	Si[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)2	C[5](C[5]Si[5,6]HH)(C[5]C[5]C)(CH3)	C[5](Si[5,6]C[5]N[6]2)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	Si[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)2{3|C<4>,6|C<3>}	C[5](C[5]Si[5,6]HH)(C[5]C[5]C)(CH3){2|H<1>,2|N<3>}	103.3455	0.322	2	103.3455	0.104	2	103.3455	0.104	2	103.3455	0.104	2	103.3455	0.104	2	100.8077	13.967	18
474	562	818	5:SP3_SP2_SP3	C[5]	Si[5]	C[5]	4:3:1:1:	4:4:3:3:	4:3:4:	Si[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5](Si[5]C[5]NN)(C[5]C[5]C)(H)2	Si[5](C[5]C[5]HH)2(NCC)2	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3)	C[5](Si[5]C[5]NN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	Si[5](C[5]C[5]HH)2(NCC)2{2|C<4>}	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3){2|H<1>,2|N<3>}	104.4395	0.302	2	104.4395	0.091	2	104.4395	0.091	2	104.4395	0.091	2	102.7806	6.071	6	100.8077	13.967	18
474	562	818	5:SP3_SP2_SP3	C[5]	Si[5]	C[5]	4:3:1:1:	4:4:3:4:	4:3:4:	Si[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:Si-4:	C[5]-4:C[5]-3:C-4:	C[5](Si[5]C[5]SiN)(C[5]C[5]C)(H)2	Si[5](C[5]C[5]HH)2(NC[6a]Si)(SiSi3)	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3)	C[5](Si[5]C[5]SiN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	Si[5](C[5]C[5]HH)2(NC[6a]Si)(SiSi3){2|C<4>}	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3){1|Si<4>,1|N<3>,2|H<1>}	104.2570	0.120	2	104.2570	0.014	2	104.2570	0.014	2	104.2570	0.014	2	102.7806	6.071	6	100.8077	13.967	18
474	562	818	5:SP3_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:1:	4:4:3:3:	4:3:1:	Si[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:N-3:N-3:	C[5]-4:C[5]-3:H-1:	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H)	Si[5](C[5]C[6a]C[5]H)2(NCC)2	C[5](C[5]C[6a]Si[5]H)(C[5]C[5]H)(H)	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	Si[5](C[5]C[6a]C[5]H)2(NCC)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]Si[5]H)(C[5]C[5]H)(H){1|H<1>,2|N<3>,3|C<3>}	99.6452	0.851	2	99.6452	0.724	2	99.6452	0.724	2	99.6452	0.724	2	102.7806	6.071	6	100.8077	13.967	18
474	562	818	6:SP3_SP2_SP3	C[5,6,6]	Si[5,6]	C[5,6,6]	4:3:4:1:	4:4:4:2:	4:4:3:	C[5,5,6]-4:C[5,6,6]-3:Si[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-3:	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H)	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6])	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5])	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H){4|Si<4>,2|H<1>,3|C<3>,4|C<4>}	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6]){1|Si<4>,1|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5]){1|O<2>,2|H<1>,4|C<3>,4|C<4>}	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1
474	562	880	0:SP3_SP3_SP3	C[5,5]	Si[5,5]	Si	4:4:3:4:	4:4:3:4:	4:4:4:4:	Si[5,5]-4:C[5]-4:C[5]-3:Si-4:	C[5,5]-4:C[5]-4:N[5]-3:Si-4:	C[5,5]-4:C-4:C-4:C-4:	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3)	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3)	Si(C[5,5]Si[5,5]C[5]2)(CH3)3	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3){2|Si<4>,3|H<1>}	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3){1|Si<4>,4|H<1>}	Si(C[5,5]Si[5,5]C[5]2)(CH3)3	117.2850	0.000	1	117.2850	0.000	1	117.2850	0.000	1	117.2850	0.000	1	117.2850	0.000	1	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[3x5]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3x5]-4:C[5]-4:Si-4:Si-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2	Si(C[5]Si[3x5]C[5]Si)(CH3)3	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,3|C<3>,4|H<1>}	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2{1|Si<4>,1|C<3>,7|H<1>}	Si(C[5]Si[3x5]C[5]Si)(CH3)3	116.2883	0.749	4	116.2883	0.561	4	116.2883	0.561	4	116.2883	0.561	4	116.2883	0.561	4	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5,5]	Si	4:4:4:4:	3:4:4:2:	4:4:4:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(SiC3)2	Si[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si2)2(O[5]C[5])	Si(C[5]Si[5,5]C[5]Si)(CH3)3	C[5](Si[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	Si[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si2)2(O[5]C[5]){3|C<3>,6|H<1>}	Si(C[5]Si[5,5]C[5]Si)(CH3)3	115.1050	3.099	4	115.1050	9.607	4	115.1050	9.607	4	114.6349	17.581	8	114.6555	11.348	22	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5,5]	Si	4:4:4:4:	3:4:4:2:	4:4:4:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-3:C[5]-4:C[5]-4:N[5]-2:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,5]C[5]2N[5])(C[5]C[5]HH)(SiC3)2	Si[5,5](C[5]C[6a]N[5])(C[5]C[5]Si2)2(N[5]C[5])	Si(C[5]Si[5,5]C[5]Si)(CH3)3	C[5](Si[5,5]C[5]2N[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|N<2>,2|C<3>,2|H<1>}	Si[5,5](C[5]C[6a]N[5])(C[5]C[5]Si2)2(N[5]C[5]){3|C<3>,4|H<1>}	Si(C[5]Si[5,5]C[5]Si)(CH3)3	114.1647	5.552	4	114.1647	30.826	4	114.1647	30.826	4	114.6349	17.581	8	114.6555	11.348	22	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5,5]	Si	4:4:4:4:	4:4:2:2:	4:4:4:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:S[5]-2:S[5]-2:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,5]C[5]S[5]2)(C[5]C[5]HH)(SiC3)2	Si[5,5](C[5]C[5]Si2)2(S[5]S[5])2	Si(C[5]Si[5,5]C[5]Si)(CH3)3	C[5](Si[5,5]C[5]S[5]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,2|S<2>}	Si[5,5](C[5]C[5]Si2)2(S[5]S[5])2{4|H<1>}	Si(C[5]Si[5,5]C[5]Si)(CH3)3	115.0648	1.619	8	115.0648	2.622	8	115.0648	2.622	8	115.0648	2.622	8	114.6555	11.348	22	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5,5]	Si	4:4:4:4:	4:4:3:4:	4:4:4:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5,5]-4:C[5]-4:N[5]-3:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,5]C[5,5]N[5]Si)(C[5]C[5]HH)(SiC3)2	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3)	Si(C[5]Si[5,5]C[5]Si)(CH3)3	C[5](Si[5,5]C[5,5]N[5]Si)(C[5]C[5]HH)(SiC3)2{1|Si<4>,1|C<3>,1|N<2>,3|H<1>}	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3){1|Si<4>,4|H<1>}	Si(C[5]Si[5,5]C[5]Si)(CH3)3	113.1355	1.128	2	113.1355	1.272	2	113.1355	1.272	2	113.1355	1.272	2	114.6555	11.348	22	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5,5]	Si	4:4:4:4:	4:4:4:2:	4:4:4:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5])	Si(C[5]Si[5,5]C[5]Si)(CH3)3	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,3|C<3>,3|H<1>}	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5]){3|C<3>,5|H<1>}	Si(C[5]Si[5,5]C[5]Si)(CH3)3	114.6382	5.467	4	114.6382	29.886	4	114.6382	29.886	4	114.6382	29.886	4	114.6555	11.348	22	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5,6]	Si	4:4:4:4:	3:4:4:2:	4:4:4:4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[6,6a]-3:C[5]-4:C[5]-4:O[6]-2:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,6]C[6,6a]C[5]O[6])(C[5]C[5]HH)(SiC3)2	Si[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si2)2(O[6]C[5,6])	Si(C[5]Si[5,6]C[5]Si)(CH3)3	C[5](Si[5,6]C[6,6a]C[5]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,3|C<3>}	Si[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si2)2(O[6]C[5,6]){4|C<3>,5|H<1>}	Si(C[5]Si[5,6]C[5]Si)(CH3)3	114.2287	5.487	4	114.2287	30.106	4	114.2287	30.106	4	114.2287	30.106	4	114.6234	16.521	20	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5,6]	Si	4:4:4:4:	4:4:2:2:	4:4:4:4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:N[6]-2:O[6]-2:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,6]C[5]N[6]O[6])(C[5]C[5]HH)(SiC3)2	Si[5,6](C[5]C[5]Si2)2(N[6]N[6])(O[6]C[6])	Si(C[5]Si[5,6]C[5]Si)(CH3)3	C[5](Si[5,6]C[5]N[6]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|N<2>,2|H<1>}	Si[5,6](C[5]C[5]Si2)2(N[6]N[6])(O[6]C[6]){2|C<3>,4|H<1>}	Si(C[5]Si[5,6]C[5]Si)(CH3)3	113.1520	1.548	4	113.1520	2.396	4	113.1520	2.396	4	113.1520	2.396	4	114.6234	16.521	20	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5,6]	Si	4:4:4:4:	4:4:3:3:	4:4:4:4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2	Si[5,6](C[5]C[5]Si2)2(C[6]C[6]H)2	Si(C[5]Si[5,6]C[5]Si)(CH3)3	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	Si[5,6](C[5]C[5]Si2)2(C[6]C[6]H)2{1|C<4>,2|C<3>,4|H<1>}	Si(C[5]Si[5,6]C[5]Si)(CH3)3	113.8180	2.297	4	113.8711	4.429	8	113.8711	4.429	8	113.8711	4.429	8	114.6234	16.521	20	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5,6]	Si	4:4:4:4:	4:4:3:3:	4:4:4:4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2	Si[5,6](C[5]C[5]Si2)2(C[6]C[6]H)2	Si(C[5]Si[5,6]C[5]Si)(CH3)3	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	Si[5,6](C[5]C[5]Si2)2(C[6]C[6]H)2{2|C<3>,5|H<1>}	Si(C[5]Si[5,6]C[5]Si)(CH3)3	113.9243	2.247	4	113.8711	4.429	8	113.8711	4.429	8	113.8711	4.429	8	114.6234	16.521	20	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5,6]	Si	4:4:4:4:	4:4:4:2:	4:4:4:4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5,6,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6])	Si(C[5]Si[5,6]C[5]Si)(CH3)3	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,2|C<3>,3|H<1>}	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6]){1|Si<4>,1|C<4>,3|C<3>,5|H<1>}	Si(C[5]Si[5,6]C[5]Si)(CH3)3	117.9938	6.485	4	117.9938	42.049	4	117.9938	42.049	4	117.9938	42.049	4	114.6234	16.521	20	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5]	Si	4:4:4:1:	4:3:4:2:	4:4:4:4:	C[5]-4:Si[5]-4:Si-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H)	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC)	Si(C[5]Si[5]C[5]H)(CH3)3	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H){1|Si<4>,1|C<3>,1|H<1>}	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC){2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]H)(CH3)3	116.6215	0.375	2	116.6215	0.141	2	116.6215	0.141	2	116.6215	0.141	2	114.8731	14.900	56	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5]	Si	4:4:4:4:	3:4:4:4:	4:4:4:4:	Ga[5]-4:Si[5]-4:Si-4:Si-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Ga[5]N[5,6]C[5]2)(Si[5]C[5,6]CC)(SiC3)2	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	Si(C[5]Ga[5]Si[5]Si)(CH3)3	C[5](Ga[5]N[5,6]C[5]2)(Si[5]C[5,6]CC)(SiC3)2{2|H<1>,6|C<3>}	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	Si(C[5]Ga[5]Si[5]Si)(CH3)3	110.8695	2.275	2	110.8695	5.175	2	111.1960	3.575	4	111.2403	1.747	8	114.8731	14.900	56	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5]	Si	4:4:4:4:	3:4:4:4:	4:4:4:4:	Ga[5]-4:Si[5]-4:Si-4:Si-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	Si(C[5]Ga[5]Si[5]Si)(CH3)3	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2{2|C<3>}	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	Si(C[5]Ga[5]Si[5]Si)(CH3)3	111.5225	2.263	2	111.5225	5.123	2	111.1960	3.575	4	111.2403	1.747	8	114.8731	14.900	56	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5]	Si	4:4:4:4:	3:4:4:4:	4:4:4:4:	In[5]-4:Si[5]-4:Si-4:Si-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](In[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2	Si(C[5]In[5]Si[5]Si)(CH3)3	C[5](In[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2{2|C<3>}	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	Si(C[5]In[5]Si[5]Si)(CH3)3	111.4190	0.932	2	111.4190	0.869	2	111.2845	0.496	4	111.2403	1.747	8	114.8731	14.900	56	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5]	Si	4:4:4:4:	3:4:4:4:	4:4:4:4:	In[5]-4:Si[5]-4:Si-4:Si-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](In[5]N[5,6]II)(Si[5]C[5,6]CC)(SiC3)2	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2	Si(C[5]In[5]Si[5]Si)(CH3)3	C[5](In[5]N[5,6]II)(Si[5]C[5,6]CC)(SiC3)2{2|C<3>}	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2{1|H<1>,2|C<3>,2|I<1>}	Si(C[5]In[5]Si[5]Si)(CH3)3	111.1500	0.740	2	111.1500	0.547	2	111.2845	0.496	4	111.2403	1.747	8	114.8731	14.900	56	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5]	Si	4:4:4:4:	4:3:3:2:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-3:C[3]-3:O-2:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[3]C[5]O)(C[5]C[5]HH)(SiC3)2	Si[5](C[5]C[5]Si2)(C[5]C[5]Si)(C[3]C[3]2)(OSi)	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[3]C[5]O)(C[5]C[5]HH)(SiC3)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	Si[5](C[5]C[5]Si2)(C[5]C[5]Si)(C[3]C[3]2)(OSi){2|C<3>,4|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	111.0285	3.009	2	111.0285	9.053	2	111.0285	9.053	2	111.0285	9.053	2	114.8731	14.900	56	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5]	Si	4:4:4:4:	4:4:2:1:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:O-2:O-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(SiC3)2	Si[5](C[5]C[5]Si2)2(OC)(O)	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si[5](C[5]C[5]Si2)2(OC)(O){4|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	114.8995	3.993	4	114.8995	15.945	4	114.8995	15.945	4	114.8995	15.945	4	114.8731	14.900	56	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5]	Si	4:4:4:4:	4:4:3:1:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]HN)(C[5]C[5]HH)(SiC3)2	Si[5](C[5]C[5]Si2)2(NCC)(H)	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]HN)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si[5](C[5]C[5]Si2)2(NCC)(H){4|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	115.7335	7.528	4	115.7335	56.669	4	115.7335	56.669	4	115.7335	56.669	4	114.8731	14.900	56	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5]	Si	4:4:4:4:	4:4:3:2:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:C-3:N-2:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]CN)(C[5]C[5]HH)(SiC3)2	Si[5](C[5]C[5]Si2)2(CCH)(NC)	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]CN)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si[5](C[5]C[5]Si2)2(CCH)(NC){4|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	115.0140	3.276	4	115.0140	10.731	4	115.0140	10.731	4	115.0140	10.731	4	114.8731	14.900	56	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5]	Si	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:Si-4:Cl-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2	Si[5](C[5]C[5]Si2)2(SiC[6a]Cl2)(Cl)	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si[5](C[5]C[5]Si2)2(SiC[6a]Cl2)(Cl){4|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	117.3743	3.929	4	117.3743	15.436	4	117.0280	5.205	20	116.6032	9.198	24	114.8731	14.900	56	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5]	Si	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:Si-4:Cl-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2	Si[5](C[5]C[5]Si2)2(SiCl2Si)(Cl)	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si[5](C[5]C[5]Si2)2(SiCl2Si)(Cl){4|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	116.9414	1.862	16	116.9414	3.466	16	117.0280	5.205	20	116.6032	9.198	24	114.8731	14.900	56	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5]	Si	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]SiH)(C[5]C[5]HH)(SiC3)2	Si[5](C[5]C[5]Si2)2(SiSiOO)(H)	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]SiH)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si[5](C[5]C[5]Si2)2(SiSiOO)(H){4|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	114.4790	5.508	4	114.4790	30.337	4	114.4790	30.337	4	116.6032	9.198	24	114.8731	14.900	56	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5]	Si	4:4:4:4:	4:4:4:2:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:Si-4:O-2:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]SiO)(C[5]C[5]HH)(SiC3)2	Si[5](C[5]C[5]Si2)2(SiSiHH)(OC)	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]SiO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si[5](C[5]C[5]Si2)2(SiSiHH)(OC){4|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	115.1920	4.810	4	115.1920	23.135	4	115.1920	23.135	4	115.1920	23.135	4	114.8731	14.900	56	114.8565	13.622	103
474	562	880	0:SP3_SP3_SP3	C[5]	Si[5]	Si	5:4:4:4:	3:4:4:4:	4:4:4:4:	Ga[5]-5:Si[5]-4:Si-4:Si-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Ga[5]N[5,6]C[5]2Fe)(Si[5]C[5,6]CC)(SiC3)2	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	Si(C[5]Ga[5]Si[5]Si)(CH3)3	C[5](Ga[5]N[5,6]C[5]2Fe)(Si[5]C[5,6]CC)(SiC3)2{2|C<3>,4|C<4>}	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{1|Fe<11>,1|H<1>,2|C<3>,2|C<4>}	Si(C[5]Ga[5]Si[5]Si)(CH3)3	111.4597	1.141	4	111.4597	1.301	4	111.4597	1.301	4	111.4597	1.301	4	114.8731	14.900	56	114.8565	13.622	103
474	562	885	5:SP3_SP-NON_SP3	C[5]	Si[5]	Ga[5]	4:4:1:1:	3:4:4:4:	3:4:1:1:	Ga[5]-4:Si[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	N[5,6]-3:C[5]-4:Cl-1:Cl-1:	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(H)2	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]HH)(CH3)2	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]HH)(Cl)2	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(H)2{2|C<3>}	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]HH)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]HH)(Cl)2{1|H<1>,2|C<3>,2|C<4>}	105.1890	0.000	1	105.1890	0.000	1	105.1890	0.000	1	105.1890	0.000	1	101.2619	11.884	3	101.2619	11.884	3
474	562	885	5:SP3_SP-NON_SP3	C[5]	Si[5]	Ga[5]	4:4:4:4:	3:4:4:4:	3:4:1:1:	Ga[5]-4:Si[5]-4:Si-4:Si-4:	C[5,6]-3:C[5]-4:C-4:C-4:	N[5,6]-3:C[5]-4:Cl-1:Cl-1:	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]Si2)(Cl)2	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2{2|C<3>}	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]Si2)(Cl)2{1|H<1>,2|C<3>,2|C<4>}	98.7355	0.000	1	98.7355	0.000	1	98.7355	0.000	1	98.7355	0.000	1	101.2619	11.884	3	101.2619	11.884	3
474	562	885	5:SP3_SP-NON_SP3	C[5]	Si[5]	Ga[5]	4:4:4:4:	3:4:4:4:	3:4:4:4:	Ga[5]-4:Si[5]-4:Si-4:Si-4:	C[5,6]-3:C[5]-4:C-4:C-4:	N[5,6]-3:C[5]-4:C[5]-4:C[5]-4:	C[5](Ga[5]N[5,6]C[5]2)(Si[5]C[5,6]CC)(SiC3)2	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]Si2)(C[5]C[5]2H)2	C[5](Ga[5]N[5,6]C[5]2)(Si[5]C[5,6]CC)(SiC3)2{2|H<1>,6|C<3>}	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]Si2)(C[5]C[5]2H)2{2|C<4>,5|H<1>,6|C<3>}	99.8611	0.000	1	99.8611	0.000	1	99.8611	0.000	1	99.8611	0.000	1	101.2619	11.884	3	101.2619	11.884	3
474	562	891	5:SP3_SP2_SP3	C[5]	Si[5]	S[5]	4:3:2:1:	3:4:4:4:	3:4:	Si[5]-4:C[6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5]-4:	C[5](Si[5]C[5,6a]CC)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5]H)	C[5](Si[5]C[5,6a]CC)(C[6a]C[6a]2)(S[5]C[5,6a])(H){2|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)2{1|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5]H){1|H<1>,2|C<4>,4|C<3>}	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
474	562	930	0:SP3_SP2_SP3	C[5]	Si[5]	C	4:4:3:1:	4:2:4:4:	4:3:1:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H)	Si[5](C[5]C[5]CH)(O[5]C[5])(CCCH)2	C(C[5]Si[5]C[5]H)(CCC)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	Si[5](C[5]C[5]CH)(O[5]C[5])(CCCH)2{1|C<4>,3|H<1>}	C(C[5]Si[5]C[5]H)(CCC)(H)	118.8206	5.427	5	118.8206	29.456	5	119.3305	17.627	8	119.3305	17.627	8	119.3305	17.627	8	119.3305	17.627	8
474	562	930	0:SP3_SP2_SP3	C[5]	Si[5]	C	4:4:3:1:	4:2:4:4:	4:3:1:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:	C[5](Si[5]O[5]CC)(C[5]C[5]CC)(CCH)(H)	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2	C(C[5]Si[5]C[5]H)(CHH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]CC)(CCH)(H){1|C<3>,1|H<1>}	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]Si[5]C[5]H)(CHH)(H)	120.7210	0.000	1	120.7210	0.000	1	119.3305	17.627	8	119.3305	17.627	8	119.3305	17.627	8	119.3305	17.627	8
474	562	930	0:SP3_SP2_SP3	C[5]	Si[5]	C	4:4:3:1:	4:2:4:4:	4:3:1:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H)	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2	C(C[5]Si[5]C[5]H)(CHH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H){1|C<3>,1|H<1>}	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]Si[5]C[5]H)(CHH)(H)	120.8210	0.000	1	120.8210	0.000	1	119.3305	17.627	8	119.3305	17.627	8	119.3305	17.627	8	119.3305	17.627	8
474	562	930	0:SP3_SP2_SP3	C[5]	Si[5]	C	4:4:3:1:	4:2:4:4:	4:3:1:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H)	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2	C(C[5]Si[5]C[5]H)(CHH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H){1|C<4>,1|H<1>}	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]Si[5]C[5]H)(CHH)(H)	118.9990	0.000	1	118.9990	0.000	1	119.3305	17.627	8	119.3305	17.627	8	119.3305	17.627	8	119.3305	17.627	8
474	562	937	0:SP3_SP1_SP3	C[5,5]	Si[5]	Si[5]	4:4:2:4:	3:4:4:4:	4:4:	Si[5]-4:Si[5]-4:Si[5]-2:C[5]-4:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,5]-4:C[5,5]-4:	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2	Si[5](C[5,5]Si[5]2C[5])2	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH){2|Si<4>,2|C<3>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2{2|C<3>,3|H<1>,4|C<4>}	Si[5](C[5,5]Si[5]2C[5])2{4|C<3>,4|H<1>,8|C<4>}	109.0392	4.748	4	109.0392	22.546	4	109.0392	22.546	4	109.0392	22.546	4	109.0392	22.546	4	109.0392	22.546	4
474	562	951	0:SP3_SP-NON_SP3	C[5,5,6]	Si[3x5]	H	3:4:3:1:	4:4:4:4:	4:	C[5,6,6]-3:Si[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2	H(C[5,5,6]C[5,6,6]Si[3x5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){5|Si<4>,2|C<3>,2|C<4>,3|H<1>}	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2{1|Si<4>,1|C<3>,7|H<1>}	H(C[5,5,6]C[5,6,6]Si[3x5]C[5,6])	116.9490	0.000	1	116.9490	0.000	1	116.9490	0.000	1	116.9490	0.000	1	116.3600	0.694	2	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5,5,6]	Si[3x5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:Si[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2	H(C[5,5,6]C[5,6,6]Si[3x5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){4|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2{1|Si<4>,1|C<3>,7|H<1>}	H(C[5,5,6]C[5,6,6]Si[3x5]C[5,6])	115.7710	0.000	1	115.7710	0.000	1	115.7710	0.000	1	115.7710	0.000	1	116.3600	0.694	2	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5,5,6]	Si[5,5]	H	3:3:4:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]H)(H)	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,6,6a]2Si[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]H)(H){3|H<1>,6|C<3>}	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(H){2|C<4>,6|C<3>}	H(C[5,5,6]C[5,6,6a]2Si[5,5])	122.7140	1.182	2	122.7140	1.398	2	122.7140	1.398	2	122.7140	1.398	2	120.1475	9.250	4	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5,5,6]	Si[5,5]	H	3:3:4:1:	4:4:3:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]C)(H)	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(CH3)	H(C[5,5,6]C[5,6,6a]2Si[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]C)(H){3|H<1>,6|C<3>}	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(CH3){8|C<3>}	H(C[5,5,6]C[5,6,6a]2Si[5,5])	117.5810	0.058	2	117.5810	0.003	2	117.5810	0.003	2	117.5810	0.003	2	120.1475	9.250	4	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5,5,6]	Si[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:Si[5]-4:H-1:	C[5,5,6]-4:O[5]-2:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H)	Si[5](C[5,5,6]C[5,5,6]2H)(O[5]Si[5])(CH3)2	H(C[5,5,6]C[5,5,6]2Si[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H){1|C<3>,3|C<4>,4|H<1>}	Si[5](C[5,5,6]C[5,5,6]2H)(O[5]Si[5])(CH3)2{2|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]2Si[5])	109.3210	0.098	2	109.3210	0.010	2	109.3210	0.010	2	109.3210	0.010	2	109.3210	0.010	2	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5,6,6]	Si[5,6]	H	4:3:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6,6]-3:Si[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H)	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6])	H(C[5,6,6]C[5,5,6]C[5,6,6]Si[5,6])	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H){4|Si<4>,2|H<1>,3|C<3>,4|C<4>}	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6]){1|Si<4>,1|C<4>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]Si[5,6])	104.2880	0.000	1	104.2880	0.000	1	104.2880	0.000	1	104.2880	0.000	1	104.2880	0.000	1	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5,6]	Si[5,5]	H	4:3:3:1:	4:4:4:2:	4:	Si[5,5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5])	H(C[5,6]Si[5,5]C[5,6]C[6])	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H){4|Si<4>,2|C<3>,2|C<4>,2|H<1>}	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5]){3|C<3>,5|H<1>}	H(C[5,6]Si[5,5]C[5,6]C[6])	105.8480	0.000	1	105.8480	0.000	1	105.8480	0.000	1	105.8480	0.000	1	105.8480	0.000	1	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5,6]	Si[5,6]	H	4:3:3:1:	4:3:3:3:	4:	Si[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:N[6]-3:N[5]-3:	C[5,6]-4:	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N)	H(C[5,6]Si[5,6]C[5,6]C[6])	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,6|C<3>}	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N){1|C<4>,1|H<1>,9|C<3>}	H(C[5,6]Si[5,6]C[5,6]C[6])	101.2820	0.000	1	101.2820	0.000	1	101.2820	0.000	1	101.2820	0.000	1	101.2820	0.000	1	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5,6]	Si[5]	H	4:4:3:1:	4:2:4:4:	4:	C[5,6,6]-4:Si[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H)	Si[5](C[5,6]C[5,6,6]C[6]H)(O[5]Si[5,6])(CH3)2	H(C[5,6]C[5,6,6]Si[5]C[6])	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	Si[5](C[5,6]C[5,6,6]C[6]H)(O[5]Si[5,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	H(C[5,6]C[5,6,6]Si[5]C[6])	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5,5]	H	4:4:1:1:	3:3:4:4:	4:	Si[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](Si[5,5]C[5]3)(C[5]C[5]HH)(H)2	Si[5,5](C[5]C[6a]C[5])2(C[5]C[5]HH)2	H(C[5]Si[5,5]C[5]H)	C[5](Si[5,5]C[5]3)(C[5]C[5]HH)(H)2{4|C<3>,4|H<1>}	Si[5,5](C[5]C[6a]C[5])2(C[5]C[5]HH)2{2|N<2>,4|C<3>,4|H<1>}	H(C[5]Si[5,5]C[5]H)	110.9650	0.000	1	110.9650	0.000	1	110.9650	0.000	1	110.9650	0.000	1	110.9650	0.000	1	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5,6]	H	4:3:1:1:	3:3:4:4:	4:	Si[5,6]-4:C[5]-3:H-1:H-1:	N[6]-3:N[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](Si[5,6]C[5]N[6]2)(C[5]C[5]C)(H)2	Si[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)2	H(C[5]Si[5,6]C[5]H)	C[5](Si[5,6]C[5]N[6]2)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	Si[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)2{3|C<4>,6|C<3>}	H(C[5]Si[5,6]C[5]H)	111.0840	0.083	4	111.0840	0.007	4	111.0840	0.007	4	111.0840	0.007	4	110.9531	0.098	8	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5,6]	H	4:3:1:1:	3:4:3:4:	4:	Si[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5]-4:	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[5]C[5,6a]Si[5,6]H)	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,3|H<1>,5|C<3>}	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,6a]Si[5,6]H)	110.9995	0.023	2	110.9995	0.001	2	110.9995	0.001	2	110.9995	0.001	2	110.9531	0.098	8	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5,6]	H	4:3:1:1:	4:4:3:4:	4:	Si[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:C[6]-4:	C[5]-4:	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[5]C[5,6a]Si[5,6]H)	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|B<3>,2|C<4>,3|H<1>,4|C<3>}	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,6a]Si[5,6]H)	110.6450	0.632	2	110.6450	0.400	2	110.6450	0.400	2	110.6450	0.400	2	110.9531	0.098	8	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	3:3:4:1:	4:3:3:3:	4:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[6a]C[5]2)(H)	Si[5](C[5]C[5,6a]2H)(C[5]C[6a]C[5])2(C[6a]C[6a]2)	H(C[5]C[5,6a]2Si[5])	C[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[6a]C[5]2)(H){10|C<3>,2|H<1>}	Si[5](C[5]C[5,6a]2H)(C[5]C[6a]C[5])2(C[6a]C[6a]2){12|C<3>,2|H<1>}	H(C[5]C[5,6a]2Si[5])	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	3:4:1:1:	4:2:4:4:	4:	N[5,6]-3:Si[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2{2|C<4>}	H(C[5]N[5,6]Si[5]H)	110.6465	0.151	4	110.8140	0.081	6	110.8140	0.081	6	110.8140	0.081	6	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	3:4:1:1:	4:2:4:4:	4:	N[5,6]-3:Si[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2{1|O<1>,2|C<4>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]Si[5]H)	111.1490	0.000	2	110.8140	0.081	6	110.8140	0.081	6	110.8140	0.081	6	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:Si[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(Si[5]C[5]CC)(H)2	Si[5](C[5]C[5,6a]HH)2(CH3)2	H(C[5]C[5,6a]Si[5]H)	C[5](C[5,6a]C[5,6a]2)(Si[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	Si[5](C[5]C[5,6a]HH)2(CH3)2{2|C<3>}	H(C[5]C[5,6a]Si[5]H)	110.8698	0.141	11	110.8698	0.020	11	110.8698	0.020	11	110.8698	0.020	11	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	3:4:3:1:	3:3:4:4:	4:	C[5,6a]-3:Si[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]H)(CCHH)	H(C[5]C[5,6a]Si[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H){2|H<1>,6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]H)(CCHH){1|C<4>,2|H<1>,7|C<3>}	H(C[5]C[5,6a]Si[5]C[5])	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	3:4:3:1:	4:2:4:4:	4:	N[5,6]-3:Si[5]-4:N[6a]-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(N[6a]C[6a]2)(H)	Si[5](C[5]N[5,6]N[6a]H)(O[5]C[5,6])(CH3)2	H(C[5]N[5,6]N[6a]Si[5])	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(N[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	Si[5](C[5]N[5,6]N[6a]H)(O[5]C[5,6])(CH3)2{4|C<3>}	H(C[5]N[5,6]N[6a]Si[5])	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	3:4:3:1:	4:4:3:3:	4:	C[5,6a]-3:Si[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H)	Si[5](C[5]C[5,6a]C[6a]H)2(C[6a]C[6a]2)2	H(C[5]C[5,6a]C[6a]Si[5])	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H){4|H<1>,9|C<3>}	Si[5](C[5]C[5,6a]C[6a]H)2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]Si[5])	106.1855	0.408	2	106.1855	0.166	2	106.1855	0.166	2	106.1855	0.166	2	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:2:1:1:	3:4:4:4:	4:	Si[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](Si[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2	H(C[5]Si[5]O[5]H)	C[5](Si[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2{1|H<1>,2|C<3>}	H(C[5]Si[5]O[5]H)	110.0410	0.000	1	110.0410	0.000	1	110.0410	0.000	1	110.0410	0.000	1	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:3:1:1:	4:2:4:4:	4:	Si[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](Si[5]O[5]CC)(N[5]C[5]C)(H)2	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2	H(C[5]Si[5]N[5]H)	C[5](Si[5]O[5]CC)(N[5]C[5]C)(H)2{1|C<4>}	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2{2|C<4>}	H(C[5]Si[5]N[5]H)	113.4655	1.742	2	113.4655	3.033	2	113.4655	3.033	2	112.1050	3.198	6	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:3:1:1:	4:2:4:4:	4:	Si[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:Si-4:Si-4:	C[5]-4:	C[5](Si[5]O[5]Si2)(N[5]C[5]C)(H)2	Si[5](C[5]N[5]HH)(O[5]C[5])(SiC3)2	H(C[5]Si[5]N[5]H)	C[5](Si[5]O[5]Si2)(N[5]C[5]C)(H)2{1|C<4>}	Si[5](C[5]N[5]HH)(O[5]C[5])(SiC3)2{2|C<4>}	H(C[5]Si[5]N[5]H)	111.4248	1.571	4	111.4248	2.468	4	111.4248	2.468	4	112.1050	3.198	6	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:3:1:1:	4:4:3:3:	4:	Si[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:N-3:	C[5]-4:	C[5](Si[5]C[5]NN)(C[5]C[5]C)(H)2	Si[5](C[5]C[5]HH)2(NCC)2	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]NN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	Si[5](C[5]C[5]HH)2(NCC)2{2|C<4>}	H(C[5]Si[5]C[5]H)	110.8650	0.078	4	110.8650	0.006	4	110.8650	0.006	4	110.8650	0.006	4	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:3:1:1:	4:4:3:4:	4:	Si[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:Si-4:	C[5]-4:	C[5](Si[5]C[5]SiN)(C[5]C[5]C)(H)2	Si[5](C[5]C[5]HH)2(NC[6a]Si)(SiSi3)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]SiN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	Si[5](C[5]C[5]HH)2(NC[6a]Si)(SiSi3){2|C<4>}	H(C[5]Si[5]C[5]H)	110.9197	0.011	4	110.9197	0.000	4	110.9197	0.000	4	110.9197	0.000	4	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:3:1:1:	4:4:4:4:	4:	Si[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](Si[5]C[5]CC)(N[5]C[5]C)(H)2	Si[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(C[5]Si[5]N[5]H)	C[5](Si[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	Si[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	H(C[5]Si[5]N[5]H)	110.5265	0.165	4	110.5265	0.027	4	110.5265	0.027	4	110.5265	0.027	4	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:3:2:1:	3:4:4:4:	4:	Si[5]-4:C[6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](Si[5]C[5,6a]CC)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)2	H(C[5]C[6a]Si[5]S[5])	C[5](Si[5]C[5,6a]CC)(C[6a]C[6a]2)(S[5]C[5,6a])(H){2|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)2{1|H<1>,4|C<3>}	H(C[5]C[6a]Si[5]S[5])	108.3650	0.000	1	108.3650	0.000	1	108.3650	0.000	1	108.3650	0.000	1	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:3:3:1:	4:4:3:3:	4:	Si[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:N-3:N-3:	C[5]-4:	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H)	Si[5](C[5]C[6a]C[5]H)2(NCC)2	H(C[5]C[6a]Si[5]C[5])	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	Si[5](C[5]C[6a]C[5]H)2(NCC)2{2|H<1>,4|C<3>}	H(C[5]C[6a]Si[5]C[5])	107.5960	0.228	2	107.5960	0.052	2	107.5960	0.052	2	107.5960	0.052	2	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:3:3:4:	4:	P[5]-4:Si[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH)	H(C[5]Si[5]P[5]H)	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2{1|Br<1>,9|C<3>}	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH){1|Br<1>,4|H<1>,8|C<3>}	H(C[5]Si[5]P[5]H)	109.7305	0.008	2	109.6190	0.009	7	109.6190	0.009	7	109.6190	0.009	7	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:3:3:4:	4:	P[5]-4:Si[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH)	H(C[5]Si[5]P[5]H)	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2{1|Cl<1>,9|C<3>}	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH){1|Cl<1>,4|H<1>,8|C<3>}	H(C[5]Si[5]P[5]H)	109.5744	0.069	5	109.6190	0.009	7	109.6190	0.009	7	109.6190	0.009	7	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:4:4:2:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:	C[5](Si[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC3)(OC)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC3)(OC){2|C<3>,3|H<1>}	H(C[5]Si[5]C[5]H)	110.7500	0.036	4	110.7500	0.001	4	110.7500	0.001	4	110.7500	0.001	4	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:Si[5]-4:H-1:H-1:	P[5]-3:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)(CHH)	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Ba<8>,2|C<4>}	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)(CHH){2|C<4>,2|H<1>}	H(C[5]Si[5]C[5]H)	107.9785	2.963	2	107.9785	8.782	2	107.9785	8.782	2	107.9785	8.782	2	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:Si[5]-4:H-1:H-1:	C[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(Si[5]C[5]Si2)(H)2	Si[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)2	H(C[5]C[5,6]Si[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(Si[5]C[5]Si2)(H)2{1|N<3>,1|O<1>,4|C<3>}	Si[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)2{5|C<3>}	H(C[5]C[5,6]Si[5]H)	110.5420	0.018	2	110.5420	0.000	2	110.5420	0.000	2	109.7137	2.748	66	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:Si[5]-4:H-1:H-1:	P[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)2	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Ba<8>,1|C<3>,1|C<4>}	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]Si[5]C[5]H)	106.5680	4.514	2	106.5680	20.378	2	107.5109	11.042	10	109.7137	2.748	66	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:Si[5]-4:H-1:H-1:	P[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	Si[5](P[5]Si[5]Si)(C[5]C[5]HH)(CH3)2	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Si<4>,2|C<4>}	Si[5](P[5]Si[5]Si)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	H(C[5]Si[5]C[5]H)	107.7466	3.312	8	107.7466	10.969	8	107.5109	11.042	10	109.7137	2.748	66	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:4:4:4:	4:	Ga[5]-4:Si[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(H)2	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]HH)(CH3)2	H(C[5]Ga[5]Si[5]H)	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(H)2{2|C<3>}	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]HH)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	H(C[5]Ga[5]Si[5]H)	110.7250	0.006	2	110.7250	0.000	2	110.7250	0.000	2	109.7137	2.748	66	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:4:4:4:	4:	P[5,5]-4:Si[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](P[5,5]Nb[3,4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2	Si[5](N[5,5]Nb[3,4x5]Si[5])(C[5]P[5,5]HH)(CH3)2	H(C[5]P[5,5]Si[5]H)	C[5](P[5,5]Nb[3,4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2{2|Si<4>,1|N<3>,1|P<4>,2|H<1>,4|C<3>}	Si[5](N[5,5]Nb[3,4x5]Si[5])(C[5]P[5,5]HH)(CH3)2{1|N<3>,1|P<4>,3|C<3>,4|C<4>}	H(C[5]P[5,5]Si[5]H)	109.7165	0.356	8	109.7165	0.127	8	109.7852	0.240	23	109.7137	2.748	66	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:4:4:4:	4:	P[5,5]-4:Si[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](P[5,5]Nb[4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2	Si[5](N[5,5]Nb[4x5]Si[5])(C[5]P[5,5]HH)(CH3)2	H(C[5]P[5,5]Si[5]H)	C[5](P[5,5]Nb[4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2{2|Si<4>,1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	Si[5](N[5,5]Nb[4x5]Si[5])(C[5]P[5,5]HH)(CH3)2{1|C<3>,1|N<2>,1|N<3>,1|P<4>,4|C<4>}	H(C[5]P[5,5]Si[5]H)	109.8218	0.556	15	109.8218	0.309	15	109.7852	0.240	23	109.7137	2.748	66	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:4:4:4:	4:	P[5]-4:Si[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2	H(C[5]Si[5]P[5]H)	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2{1|Br<1>,5|C<3>}	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2{1|Br<1>,4|C<3>}	H(C[5]Si[5]P[5]H)	109.5615	0.194	4	109.5204	0.021	8	109.4860	0.022	10	109.7137	2.748	66	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:4:4:4:	4:	P[5]-4:Si[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2	H(C[5]Si[5]P[5]H)	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2{1|Cl<1>,5|C<3>}	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2{1|Cl<1>,4|C<3>}	H(C[5]Si[5]P[5]H)	109.4793	0.082	4	109.5204	0.021	8	109.4860	0.022	10	109.7137	2.748	66	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:4:4:4:	4:	P[5]-4:Si[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](P[5]Si[5]CC)(Si[5]N[5]CC)(H)2	Si[5](N[5]Si[5]Si)(C[5]P[5]HH)(CH3)2	H(C[5]Si[5]P[5]H)	C[5](P[5]Si[5]CC)(Si[5]N[5]CC)(H)2{1|Co<7>,1|Si<4>,1|H<1>}	Si[5](N[5]Si[5]Si)(C[5]P[5]HH)(CH3)2{1|Co<7>,1|H<1>,2|C<4>}	H(C[5]Si[5]P[5]H)	109.3485	0.032	2	109.3485	0.001	2	109.4860	0.022	10	109.7137	2.748	66	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:4:4:4:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>}	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]Si[5]C[5]H)	110.3650	0.014	2	110.4848	0.019	4	110.4848	0.019	4	109.7137	2.748	66	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:4:4:4:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2{2|C<3>}	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]Si[5]C[5]H)	110.6045	0.009	2	110.4848	0.019	4	110.4848	0.019	4	109.7137	2.748	66	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:4:4:4:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2{1|C<4>,4|C<3>,8|H<1>}	H(C[5]Si[5]C[5]H)	111.1915	0.098	4	111.1915	0.010	4	111.1915	0.010	4	109.7137	2.748	66	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	3:4:4:4:	4:	Si[5]-4:Si[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](Si[5]C[5,6a]CC)2(H)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2	H(C[5]Si[5]2H)	C[5](Si[5]C[5,6a]CC)2(H)2{2|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]Si[5]2H)	110.6214	0.301	11	110.6214	0.090	11	110.6214	0.090	11	109.7137	2.748	66	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]N[5]HH)(H)2	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(H)2	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]N[5]HH)(H)2{1|N<3>,2|H<1>}	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(H)2{4|H<1>}	H(C[5]Si[5]C[5]H)	111.5450	3.976	4	111.5450	15.805	4	111.5450	15.805	4	111.5450	15.805	4	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	4:3:3:4:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](Si[5]C[5,5,6,6]C[6a]2)(C[5]C[5,5,6,6]C[6a]H)(H)2	Si[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(C[5]C[5]HH)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5,5,6,6]C[6a]2)(C[5]C[5,5,6,6]C[6a]H)(H)2{10|C<3>}	Si[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(C[5]C[5]HH){11|C<3>,1|H<1>,4|C<4>}	H(C[5]Si[5]C[5]H)	111.7940	0.000	1	111.7940	0.000	1	111.7940	0.000	1	111.7940	0.000	1	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<2>,2|C<4>}	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2{2|C<4>,2|H<1>}	H(C[5]Si[5]C[5]H)	110.1001	0.321	13	110.0931	0.113	16	110.0931	0.113	16	110.0931	0.113	16	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<3>,2|C<4>}	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2{2|C<4>,2|H<1>}	H(C[5]Si[5]C[5]H)	110.0627	0.479	3	110.0931	0.113	16	110.0931	0.113	16	110.0931	0.113	16	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	4:4:1:1:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Cl-1:Cl-1:	C[5]-4:	C[5](Si[5]C[5]Cl2)(C[5]C[5]HH)(H)2	Si[5](C[5]C[5]HH)2(Cl)2	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]Cl2)(C[5]C[5]HH)(H)2{4|H<1>}	Si[5](C[5]C[5]HH)2(Cl)2{4|H<1>}	H(C[5]Si[5]C[5]H)	111.3462	0.018	4	111.3462	0.000	4	111.3462	0.000	4	111.3462	0.000	4	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	4:4:2:2:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(H)2	Si[5](C[5]C[5]HH)2(OC[6a])(OC)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(H)2{4|H<1>}	Si[5](C[5]C[5]HH)2(OC[6a])(OC){4|H<1>}	H(C[5]Si[5]C[5]H)	110.6439	0.454	7	110.6439	0.206	7	110.6439	0.206	7	110.6439	0.206	7	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	4:4:3:3:	4:	C[3,5]-4:Si[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]N[3]H)(Si[5]C[6a]2C[5])(H)2	Si[5](C[5]C[3,5]HH)2(C[6a]C[6a]2)2	H(C[5]C[3,5]Si[5]H)	C[5](C[3,5]C[3,5]N[3]H)(Si[5]C[6a]2C[5])(H)2{1|S<4>,3|H<1>,4|C<3>}	Si[5](C[5]C[3,5]HH)2(C[6a]C[6a]2)2{1|N<3>,4|C<3>,6|H<1>}	H(C[5]C[3,5]Si[5]H)	111.4806	1.652	12	111.4806	2.728	12	111.4806	2.728	12	111.4806	2.728	12	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	4:4:4:4:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](Si[5]C[5]CC)(C[5]N[5]CH)(H)2	Si[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	Si[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	H(C[5]Si[5]C[5]H)	110.7610	0.139	3	110.7610	0.019	3	110.7610	0.019	3	109.4894	0.776	10	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:1:1:	4:4:4:4:	4:	Si[5]-4:Si[5]-4:H-1:H-1:	Si[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](Si[5]Si[5,5]CC)2(H)2	Si[5](Si[5,5]Si[5,5]Si[5]Si)(C[5]Si[5]HH)(CH3)2	H(C[5]Si[5]2H)	C[5](Si[5]Si[5,5]CC)2(H)2{4|Si<4>}	Si[5](Si[5,5]Si[5,5]Si[5]Si)(C[5]Si[5]HH)(CH3)2{2|Si<4>,5|C<4>}	H(C[5]Si[5]2H)	108.9444	0.043	7	108.9444	0.002	7	108.9444	0.002	7	109.4894	0.776	10	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:3:1:	3:4:4:4:	4:	C[5]-4:Si[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(CH3)2	H(C[5]C[6a]Si[5]C[5])	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(CH3)2{1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[6a]Si[5]C[5])	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	107.7645	1.301	2	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:3:1:	3:4:4:4:	4:	Si[5]-4:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2	H(C[5]Si[5]C[5]2)	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2{1|C<4>,4|C<3>,8|H<1>}	H(C[5]Si[5]C[5]2)	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	107.7645	1.301	2	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:3:1:	4:2:4:4:	4:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H)	Si[5](C[5]C[5]CH)(O[5]C[5])(CCCH)2	H(C[5]Si[5]C[5]C)	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	Si[5](C[5]C[5]CH)(O[5]C[5])(CCCH)2{1|C<4>,3|H<1>}	H(C[5]Si[5]C[5]C)	109.5112	3.489	5	109.5112	12.174	5	107.8744	12.857	8	107.8744	12.857	8	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:3:1:	4:2:4:4:	4:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](Si[5]O[5]CC)(C[5]C[5]CC)(CCH)(H)	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2	H(C[5]Si[5]C[5]C)	C[5](Si[5]O[5]CC)(C[5]C[5]CC)(CCH)(H){1|C<3>,1|H<1>}	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]Si[5]C[5]C)	104.5550	0.000	1	104.5550	0.000	1	107.8744	12.857	8	107.8744	12.857	8	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:3:1:	4:2:4:4:	4:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H)	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2	H(C[5]Si[5]C[5]C)	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H){1|C<3>,1|H<1>}	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]Si[5]C[5]C)	103.8520	0.000	1	103.8520	0.000	1	107.8744	12.857	8	107.8744	12.857	8	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:3:1:	4:2:4:4:	4:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H)	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2	H(C[5]Si[5]C[5]C)	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H){1|C<4>,1|H<1>}	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]Si[5]C[5]C)	107.0320	0.000	1	107.0320	0.000	1	107.8744	12.857	8	107.8744	12.857	8	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:Si[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2	H(C[5]C[5,6]Si[5]C)	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]Si[5]C)	107.2220	0.000	1	106.3600	1.486	2	106.3600	1.486	2	106.3600	1.486	2	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:Si[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2	H(C[5]C[5,6]Si[5]C)	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]Si[5]C)	105.4980	0.000	1	106.3600	1.486	2	106.3600	1.486	2	106.3600	1.486	2	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5]-4:Si[5]-4:Si-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H)	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC)	H(C[5]Si[5]C[5]Si)	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H){1|Si<4>,1|C<3>,1|H<1>}	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC){2|Si<4>,2|H<1>}	H(C[5]Si[5]C[5]Si)	105.1060	0.491	2	105.1060	0.241	2	105.1060	0.241	2	105.1060	0.241	2	109.9783	3.499	195	110.1632	6.215	216
474	562	951	0:SP3_SP-NON_SP3	C[5]	Si[5]	H	5:4:1:1:	4:4:4:4:	4:	C[3x3,4,3x5,9x6]-5:Si[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6])(Si[5]C[5]CC)(H)2	Si[5](C[5]C[3x3,4,3x5,9x6]HH)2(CH3)2	H(C[5]C[3x3,4,3x5,9x6]Si[5]H)	C[5](C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6])(Si[5]C[5]CC)(H)2{5|H<1>,6|B<6>}	Si[5](C[5]C[3x3,4,3x5,9x6]HH)2(CH3)2{1|B<7>,4|B<6>}	H(C[5]C[3x3,4,3x5,9x6]Si[5]H)	110.8528	0.039	4	110.8528	0.002	4	110.8528	0.002	4	110.8528	0.002	4	109.9783	3.499	195	110.1632	6.215	216
474	562	955	5:SP3_SP3_SP3	C[5]	Si[5]	P[5,5]	4:4:1:1:	3:4:4:4:	5:4:4:3:	P[5,5]-4:Si[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	Nb[4x5]-5:C[5]-4:C[5]-4:C[6a]-3:	C[5](P[5,5]Nb[4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2	Si[5](N[5,5]Nb[4x5]Si[5])(C[5]P[5,5]HH)(CH3)2	P[5,5](Nb[4x5]N[5,5]2P[5,5]N)(C[5]Si[5]HH)2(C[6a]C[6a]2)	C[5](P[5,5]Nb[4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2{2|Si<4>,1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	Si[5](N[5,5]Nb[4x5]Si[5])(C[5]P[5,5]HH)(CH3)2{1|C<3>,1|N<2>,1|N<3>,1|P<4>,4|C<4>}	P[5,5](Nb[4x5]N[5,5]2P[5,5]N)(C[5]Si[5]HH)2(C[6a]C[6a]2){2|Si<4>,2|H<1>,3|C<3>,6|C<4>}	108.1148	2.354	8	108.1148	5.543	8	108.1148	5.543	8	108.1148	5.543	8	108.1814	4.333	12	109.2021	4.035	21
474	562	955	5:SP3_SP3_SP3	C[5]	Si[5]	P[5,5]	4:4:1:1:	3:4:4:4:	6:4:4:3:	P[5,5]-4:Si[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	Nb[3,4x5]-6:C[5]-4:C[5]-4:C[6a]-3:	C[5](P[5,5]Nb[3,4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2	Si[5](N[5,5]Nb[3,4x5]Si[5])(C[5]P[5,5]HH)(CH3)2	P[5,5](Nb[3,4x5]N[5,5]2P[5,5]C[3]2)(C[5]Si[5]HH)2(C[6a]C[6a]2)	C[5](P[5,5]Nb[3,4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2{2|Si<4>,1|N<3>,1|P<4>,2|H<1>,4|C<3>}	Si[5](N[5,5]Nb[3,4x5]Si[5])(C[5]P[5,5]HH)(CH3)2{1|N<3>,1|P<4>,3|C<3>,4|C<4>}	P[5,5](Nb[3,4x5]N[5,5]2P[5,5]C[3]2)(C[5]Si[5]HH)2(C[6a]C[6a]2){2|Si<4>,3|H<1>,4|C<3>,6|C<4>}	108.3148	1.708	4	108.3148	2.918	4	108.3148	2.918	4	108.3148	2.918	4	108.1814	4.333	12	109.2021	4.035	21
474	562	955	5:SP3_SP3_SP3	C[5]	Si[5]	P[5]	4:4:1:1:	3:3:3:4:	4:3:3:3:	P[5]-4:Si[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH)	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br)	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2{1|Br<1>,9|C<3>}	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH){1|Br<1>,4|H<1>,8|C<3>}	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br){4|H<1>,7|C<3>}	109.5990	0.000	1	109.5990	0.000	1	110.2498	0.265	4	110.2498	0.265	4	110.5631	0.483	9	109.2021	4.035	21
474	562	955	5:SP3_SP3_SP3	C[5]	Si[5]	P[5]	4:4:1:1:	3:3:3:4:	4:3:3:3:	P[5]-4:Si[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH)	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl)	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2{1|Cl<1>,9|C<3>}	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH){1|Cl<1>,4|H<1>,8|C<3>}	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl){4|H<1>,7|C<3>}	110.4667	0.339	3	110.4667	0.115	3	110.2498	0.265	4	110.2498	0.265	4	110.5631	0.483	9	109.2021	4.035	21
474	562	955	5:SP3_SP3_SP3	C[5]	Si[5]	P[5]	4:4:1:1:	3:4:4:4:	4:3:3:3:	P[5]-4:Si[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br)	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2{1|Br<1>,5|C<3>}	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2{1|Br<1>,4|C<3>}	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br){2|C<4>,4|H<1>,5|C<3>}	110.3755	1.166	2	110.3755	1.360	2	110.6775	0.662	4	110.6775	0.662	4	110.5631	0.483	9	109.2021	4.035	21
474	562	955	5:SP3_SP3_SP3	C[5]	Si[5]	P[5]	4:4:1:1:	3:4:4:4:	4:3:3:3:	P[5]-4:Si[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl)	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2{1|Cl<1>,5|C<3>}	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2{1|Cl<1>,4|C<3>}	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl){2|C<4>,4|H<1>,5|C<3>}	110.9795	0.513	2	110.9795	0.263	2	110.6775	0.662	4	110.6775	0.662	4	110.5631	0.483	9	109.2021	4.035	21
474	562	955	5:SP3_SP3_SP3	C[5]	Si[5]	P[5]	4:4:1:1:	3:4:4:4:	4:4:4:4:	P[5]-4:Si[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	Si[5]-4:C[5]-4:C-4:C-4:	C[5](P[5]Si[5]CC)(Si[5]N[5]CC)(H)2	Si[5](N[5]Si[5]Si)(C[5]P[5]HH)(CH3)2	P[5](Si[5]N[5]CoH)(C[5]Si[5]HH)(CC3)2	C[5](P[5]Si[5]CC)(Si[5]N[5]CC)(H)2{1|Co<7>,1|Si<4>,1|H<1>}	Si[5](N[5]Si[5]Si)(C[5]P[5]HH)(CH3)2{1|Co<7>,1|H<1>,2|C<4>}	P[5](Si[5]N[5]CoH)(C[5]Si[5]HH)(CC3)2{1|Si<4>,2|C<4>}	111.3590	0.000	1	111.3590	0.000	1	111.3590	0.000	1	111.3590	0.000	1	110.5631	0.483	9	109.2021	4.035	21
474	562	976	5:SP3_SP2_SP3	C[5,5]	Si[5]	O[5]	3:3:4:2:	3:4:4:4:	4:3:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:O[5]-2:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]CC)(O[5]C[5,6a])	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2O[5])(CH3)2	O[5](C[5,5]C[5,6a]2Si[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]CC)(O[5]C[5,6a]){2|H<1>,6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2O[5])(CH3)2{1|H<1>,6|C<3>}	O[5](C[5,5]C[5,6a]2Si[5])(C[5,6a]C[5,6a]C[6a]){3|C<4>,6|C<3>}	106.2190	0.000	1	106.2190	0.000	1	106.2190	0.000	1	106.2190	0.000	1	106.2190	0.000	1	107.2340	2.060	2
474	562	976	5:SP3_SP2_SP3	C[5]	Si[5]	O[5]	4:2:1:1:	3:4:4:4:	3:4:	Si[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5]-4:	C[5](Si[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)	C[5](Si[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2{1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH){1|H<1>,2|C<3>,2|C<4>}	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	107.2340	2.060	2
474	562	987	5:SP3_SP-NON_SP3	C[5,5,6]	Si[3x5]	P[5,6]	4:2:2:4:	4:3:3:3:	4:3:	Si[3x5]-4:P[5,6]-2:P[5,6]-2:C-4:	C[5,5,6]-4:P[5,5,6]-3:N[5]-3:N[5]-3:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3)	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5,6a]C)2	P[5,6](C[5,5,6]Si[3x5]P[5,6]C)(C[5,6]P[5,5,6]C)	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3){2|C<3>,4|C<4>}	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5,6a]C)2{2|C<3>,2|C<4>}	P[5,6](C[5,5,6]Si[3x5]P[5,6]C)(C[5,6]P[5,5,6]C){1|C<3>,2|N<3>}	102.0120	0.272	2	102.0120	0.074	2	102.2297	0.486	4	102.2297	0.486	4	102.2297	0.486	4	102.2297	0.486	4
474	562	987	5:SP3_SP-NON_SP3	C[5,5,6]	Si[3x5]	P[5,6]	4:2:2:4:	4:3:3:3:	4:3:	Si[3x5]-4:P[5,6]-2:P[5,6]-2:C-4:	C[5,5,6]-4:P[5,5,6]-3:N[5]-3:N[5]-3:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3)	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5]C)2	P[5,6](C[5,5,6]Si[3x5]P[5,6]C)(C[5,6]P[5,5,6]C)	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3){2|C<3>,4|C<4>}	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5]C)2{2|C<4>,2|H<1>}	P[5,6](C[5,5,6]Si[3x5]P[5,6]C)(C[5,6]P[5,5,6]C){1|C<3>,2|N<3>}	102.4475	1.092	2	102.4475	1.194	2	102.2297	0.486	4	102.2297	0.486	4	102.2297	0.486	4	102.2297	0.486	4
474	598	818	0:SP3_SP2_SP2	C[5]	Si[4]	C[5]	3:3:3:1:	4:3:3:	4:3:4:	Si[4]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:N[4]-3:N[4]-3:	C[5]-4:C[5]-3:C-4:	C[5](Si[4]N[4]2)(C[5]C[5]C)2(H)	Si[4](C[5]C[5]2H)(N[4]C[4]C)2	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2)(C[5]C[5]C)2(H){1|C<3>,4|C<4>}	Si[4](C[5]C[5]2H)(N[4]C[4]C)2{2|C<4>,3|C<3>}	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	112.0750	6.763	2	112.0750	45.735	2	112.0750	45.735	2	112.0750	45.735	2	112.0750	45.735	2	112.0750	45.735	2
474	598	951	0:SP3_SP-NON_SP2	C[5]	Si[4]	H	3:3:3:1:	4:3:3:	4:	Si[4]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:N[4]-3:N[4]-3:	C[5]-4:	C[5](Si[4]N[4]2)(C[5]C[5]C)2(H)	Si[4](C[5]C[5]2H)(N[4]C[4]C)2	H(C[5]Si[4]C[5]2)	C[5](Si[4]N[4]2)(C[5]C[5]C)2(H){1|C<3>,4|C<4>}	Si[4](C[5]C[5]2H)(N[4]C[4]C)2{2|C<4>,3|C<3>}	H(C[5]Si[4]C[5]2)	100.3130	0.000	1	100.3130	0.000	1	100.3130	0.000	1	100.3130	0.000	1	100.3130	0.000	1	100.3130	0.000	1
474	606	606	5:SP3_SP3_SP3	C[5]	Ge[5]	Ge[5]	4:4:4:1:	6:4:4:4:	6:4:4:4:	Ge[5]-4:Ge[5]-4:C-4:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:C-4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:C-4:	C[5](Ge[5]C[5x3,6x5,20x6]CC)2(CC[6a]HH)(H)	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]Ge[5]CH)(CH3)2	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]Ge[5]CH)(CH3)2	C[5](Ge[5]C[5x3,6x5,20x6]CC)2(CC[6a]HH)(H){6|B<6>}	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]Ge[5]CH)(CH3)2{2|C<4>,4|H<1>,5|B<6>}	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]Ge[5]CH)(CH3)2{2|C<4>,4|H<1>,5|B<6>}	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1
474	606	727	0:SP3_SP2_SP3	C[5,5]	Ge[5]	C[5,6a]	3:3:4:4:	4:3:3:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:Ge[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(Ge[5]C[6a]2C[5])(C[5]C[6a]N[5]H)	Ge[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)2(C[5]N[5]CH)	C[5,6a](C[5,5]C[5,6a]Ge[5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(Ge[5]C[6a]2C[5])(C[5]C[6a]N[5]H){11|C<3>,3|H<1>}	Ge[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)2(C[5]N[5]CH){1|H<1>,4|C<4>,9|C<3>}	C[5,6a](C[5,5]C[5,6a]Ge[5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	115.2905	2.698	4	115.2905	7.279	4	115.2905	7.279	4	115.2905	7.279	4	115.2905	7.279	4	115.2905	7.279	4
474	606	727	5:SP3_SP2_SP3	C[5,5,6]	Ge[5,5]	C[5,6,6a]	3:3:4:1:	4:4:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:Ge[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Ge[5,5]C[5,5,6]CC)(H)	Ge[5,5](C[5,5,6]C[5,6,6a]2H)2(CH3)2	C[5,6,6a](C[5,5,6]C[5,6,6a]Ge[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Ge[5,5]C[5,5,6]CC)(H){3|H<1>,4|C<3>}	Ge[5,5](C[5,5,6]C[5,6,6a]2H)2(CH3)2{4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Ge[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	96.8903	0.088	4	96.8903	0.008	4	96.8903	0.008	4	96.8903	0.008	4	96.8903	0.008	4	96.8903	0.008	4
474	606	818	5:SP3_SP2_SP3	C[5,3x6]	Ge[5,3x6]	C[5,6]	4:4:3:4:	4:3:3:3:	4:3:3:	Ge[5,3x6]-4:C[3x6]-4:C[5,6]-3:C-4:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-3:C[6,6]-3:	C[5,3x6]-4:C[5,6a]-3:C[6]-3:	C[5,3x6](Ge[5,3x6]C[5,6a]C[6,6]2)(C[3x6]Ge[3x6]C[6]H)(C[5,6]C[5,6a]C[6])(CCCH)	Ge[5,3x6](C[5,3x6]C[3x6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H)	C[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[5,3x6](Ge[5,3x6]C[5,6a]C[6,6]2)(C[3x6]Ge[3x6]C[6]H)(C[5,6]C[5,6a]C[6])(CCCH){2|C<4>,2|H<1>,6|C<3>}	Ge[5,3x6](C[5,3x6]C[3x6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H){1|Ge<4>,2|H<1>,4|C<4>,5|C<3>}	C[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){1|Ge<4>,3|H<1>,5|C<3>}	95.8417	0.000	1	95.8417	0.000	1	95.8417	0.000	1	95.8417	0.000	1	95.8417	0.000	1	101.4861	7.771	8
474	606	818	5:SP3_SP2_SP3	C[5]	Ge[5]	C[5]	4:3:1:1:	4:2:4:2:	4:3:1:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](Ge[5]O[5]CO)(C[5]C[5]H)(H)2	Ge[5](C[5]C[5]HH)(O[5]C[5])(CSi3)(OC)	C[5](C[5]Ge[5]HH)(C[5]O[5]C)(H)	C[5](Ge[5]O[5]CO)(C[5]C[5]H)(H)2{1|C<4>}	Ge[5](C[5]C[5]HH)(O[5]C[5])(CSi3)(OC){1|C<4>,1|H<1>}	C[5](C[5]Ge[5]HH)(C[5]O[5]C)(H){1|C<4>,1|O<2>}	100.2930	0.000	1	100.2930	0.000	1	100.2930	0.000	1	100.2930	0.000	1	102.2924	2.997	7	101.4861	7.771	8
474	606	818	5:SP3_SP2_SP3	C[5]	Ge[5]	C[5]	4:3:1:1:	4:3:4:4:	4:3:4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](Ge[5]C[6a]C[5]2)(C[5]C[5]C)(H)2	Ge[5](C[5]C[5]2Fe)(C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C[5](Ge[5]C[6a]C[5]2)(C[5]C[5]C)(H)2{1|Fe<10>,2|C<3>,2|H<1>,3|C<4>}	Ge[5](C[5]C[5]2Fe)(C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,2|H<1>,6|C<4>}	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	103.6615	0.005	2	103.6615	0.000	2	103.6615	0.000	2	103.6615	0.000	2	102.2924	2.997	7	101.4861	7.771	8
474	606	818	5:SP3_SP2_SP3	C[5]	Ge[5]	C[5]	4:3:1:1:	4:4:3:1:	4:3:4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:Cl-1:	C[5]-4:C[5]-3:C-4:	C[5](Ge[5]C[5]2Cl)(C[5]C[5]C)(H)2	Ge[5](C[5]C[5]HH)2(C[5]N[5]2)(Cl)	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C[5](Ge[5]C[5]2Cl)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,2|N<3>}	Ge[5](C[5]C[5]HH)2(C[5]N[5]2)(Cl){2|C<3>,4|C<4>}	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|C<3>,2|H<1>}	100.5190	0.054	2	100.5190	0.003	2	100.5190	0.003	2	100.5190	0.003	2	102.2924	2.997	7	101.4861	7.771	8
474	606	818	5:SP3_SP2_SP3	C[5]	Ge[5]	C[5]	4:3:1:1:	4:4:3:4:	4:3:4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Ge[5]C[5]CN)(C[5]C[5]C)(H)2	Ge[5](C[5]C[5]HH)2(NC[6a]Si)(CCHH)	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C[5](Ge[5]C[5]CN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	Ge[5](C[5]C[5]HH)2(NC[6a]Si)(CCHH){2|C<4>}	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>,2|H<1>}	103.6965	0.037	2	103.6965	0.001	2	103.6965	0.001	2	103.6965	0.001	2	102.2924	2.997	7	101.4861	7.771	8
474	606	880	0:SP3_SP3_SP3	C[5]	Ge[5]	Si	4:4:4:4:	4:4:2:2:	4:4:4:4:	Ge[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:C-4:C-4:C-4:	C[5](Ge[5]C[5]OO)(C[5]C[5]HH)(SiC3)2	Ge[5](C[5]C[5]Si2)2(ON[6])2	Si(C[5]Ge[5]C[5]Si)(CH3)3	C[5](Ge[5]C[5]OO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Ge[5](C[5]C[5]Si2)2(ON[6])2{4|H<1>}	Si(C[5]Ge[5]C[5]Si)(CH3)3	119.3430	1.735	4	119.3430	3.010	4	119.3430	3.010	4	119.3430	3.010	4	119.3430	3.010	4	119.3430	3.010	4
474	606	930	0:SP3_SP2_SP3	C[5]	Ge[5]	C	4:2:3:1:	4:3:3:4:	4:2:1:	Ge[5]-4:N[5]-2:C-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](Ge[5]C[5,5]C[6a]2)(N[5]C[5])(COO)(H)	Ge[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)2(C[5]N[5]CH)	C(C[5]Ge[5]N[5]H)(OC)(O)	C[5](Ge[5]C[5,5]C[6a]2)(N[5]C[5])(COO)(H){1|H<1>,7|C<3>}	Ge[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)2(C[5]N[5]CH){1|H<1>,4|C<4>,9|C<3>}	C(C[5]Ge[5]N[5]H)(OC)(O)	112.9540	0.000	2	112.9540	0.000	2	112.9540	0.000	2	112.9540	0.000	2	112.9540	0.000	2	112.9540	0.000	2
474	606	951	0:SP3_SP-NON_SP3	C[5,5,6]	Ge[5,5]	H	3:3:4:1:	4:4:4:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:Ge[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Ge[5,5]C[5,5,6]CC)(H)	Ge[5,5](C[5,5,6]C[5,6,6a]2H)2(CH3)2	H(C[5,5,6]C[5,6,6a]2Ge[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Ge[5,5]C[5,5,6]CC)(H){3|H<1>,4|C<3>}	Ge[5,5](C[5,5,6]C[5,6,6a]2H)2(CH3)2{4|C<3>}	H(C[5,5,6]C[5,6,6a]2Ge[5,5])	117.2275	0.036	2	117.2275	0.001	2	117.2275	0.001	2	117.2275	0.001	2	117.2275	0.001	2	110.8174	9.524	18
474	606	951	0:SP3_SP-NON_SP3	C[5]	Ge[5]	H	3:4:4:1:	3:4:4:4:	4:	P[5,6]-3:Ge[5]-4:C-4:H-1:	P[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](P[5,6]C[5,6]P[5,6])(Ge[5]P[5,6]CC)(CH3)(H)	Ge[5](P[5,6]C[5,6]P[5,6])(C[5]P[5,6]CH)(CSi2H)2	H(C[5]P[5,6]Ge[5]C)	C[5](P[5,6]C[5,6]P[5,6])(Ge[5]P[5,6]CC)(CH3)(H){1|Ge<4>,1|P<3>,2|C<3>}	Ge[5](P[5,6]C[5,6]P[5,6])(C[5]P[5,6]CH)(CSi2H)2{1|C<4>,1|P<3>,2|C<3>}	H(C[5]P[5,6]Ge[5]C)	106.1280	0.000	1	106.1280	0.000	1	106.1280	0.000	1	106.1280	0.000	1	110.0161	4.630	16	110.8174	9.524	18
474	606	951	0:SP3_SP-NON_SP3	C[5]	Ge[5]	H	4:2:3:1:	4:3:3:4:	4:	Ge[5]-4:N[5]-2:C-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](Ge[5]C[5,5]C[6a]2)(N[5]C[5])(COO)(H)	Ge[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)2(C[5]N[5]CH)	H(C[5]Ge[5]N[5]C)	C[5](Ge[5]C[5,5]C[6a]2)(N[5]C[5])(COO)(H){1|H<1>,7|C<3>}	Ge[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)2(C[5]N[5]CH){1|H<1>,4|C<4>,9|C<3>}	H(C[5]Ge[5]N[5]C)	109.2860	0.000	2	109.2860	0.000	2	109.2860	0.000	2	109.2860	0.000	2	110.0161	4.630	16	110.8174	9.524	18
474	606	951	0:SP3_SP-NON_SP3	C[5]	Ge[5]	H	4:3:1:1:	4:2:4:2:	4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](Ge[5]O[5]CO)(C[5]C[5]H)(H)2	Ge[5](C[5]C[5]HH)(O[5]C[5])(CSi3)(OC)	H(C[5]Ge[5]C[5]H)	C[5](Ge[5]O[5]CO)(C[5]C[5]H)(H)2{1|C<4>}	Ge[5](C[5]C[5]HH)(O[5]C[5])(CSi3)(OC){1|C<4>,1|H<1>}	H(C[5]Ge[5]C[5]H)	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	110.0161	4.630	16	110.8174	9.524	18
474	606	951	0:SP3_SP-NON_SP3	C[5]	Ge[5]	H	4:3:1:1:	4:3:4:4:	4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](Ge[5]C[6a]C[5]2)(C[5]C[5]C)(H)2	Ge[5](C[5]C[5]2Fe)(C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]Ge[5]C[5]H)	C[5](Ge[5]C[6a]C[5]2)(C[5]C[5]C)(H)2{1|Fe<10>,2|C<3>,2|H<1>,3|C<4>}	Ge[5](C[5]C[5]2Fe)(C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,2|H<1>,6|C<4>}	H(C[5]Ge[5]C[5]H)	111.0260	0.012	3	111.0260	0.000	3	111.0260	0.000	3	111.0260	0.000	3	110.0161	4.630	16	110.8174	9.524	18
474	606	951	0:SP3_SP-NON_SP3	C[5]	Ge[5]	H	4:3:1:1:	4:4:3:1:	4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:Cl-1:	C[5]-4:	C[5](Ge[5]C[5]2Cl)(C[5]C[5]C)(H)2	Ge[5](C[5]C[5]HH)2(C[5]N[5]2)(Cl)	H(C[5]Ge[5]C[5]H)	C[5](Ge[5]C[5]2Cl)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,2|N<3>}	Ge[5](C[5]C[5]HH)2(C[5]N[5]2)(Cl){2|C<3>,4|C<4>}	H(C[5]Ge[5]C[5]H)	111.6610	0.007	3	111.6610	0.000	3	111.6610	0.000	3	111.6610	0.000	3	110.0161	4.630	16	110.8174	9.524	18
474	606	951	0:SP3_SP-NON_SP3	C[5]	Ge[5]	H	4:3:1:1:	4:4:3:4:	4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:C-4:	C[5]-4:	C[5](Ge[5]C[5]CN)(C[5]C[5]C)(H)2	Ge[5](C[5]C[5]HH)2(NC[6a]Si)(CCHH)	H(C[5]Ge[5]C[5]H)	C[5](Ge[5]C[5]CN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	Ge[5](C[5]C[5]HH)2(NC[6a]Si)(CCHH){2|C<4>}	H(C[5]Ge[5]C[5]H)	111.0120	0.026	4	111.0120	0.001	4	111.0120	0.001	4	111.0120	0.001	4	110.0161	4.630	16	110.8174	9.524	18
474	606	951	0:SP3_SP-NON_SP3	C[5]	Ge[5]	H	4:4:4:1:	6:4:4:4:	4:	Ge[5]-4:Ge[5]-4:C-4:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:C-4:	C[5]-4:	C[5](Ge[5]C[5x3,6x5,20x6]CC)2(CC[6a]HH)(H)	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]Ge[5]CH)(CH3)2	H(C[5]Ge[5]2C)	C[5](Ge[5]C[5x3,6x5,20x6]CC)2(CC[6a]HH)(H){6|B<6>}	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]Ge[5]CH)(CH3)2{2|C<4>,4|H<1>,5|B<6>}	H(C[5]Ge[5]2C)	105.8330	0.035	2	105.8330	0.001	2	105.8330	0.001	2	105.8330	0.001	2	110.0161	4.630	16	110.8174	9.524	18
474	606	960	5:SP3_SP2_SP3	C[5]	Ge[5]	N[5]	4:2:3:1:	4:3:3:4:	4:4:	Ge[5]-4:N[5]-2:C-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](Ge[5]C[5,5]C[6a]2)(N[5]C[5])(COO)(H)	Ge[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)2(C[5]N[5]CH)	N[5](C[5]C[5,5]C[6a]H)(C[5]Ge[5]CH)	C[5](Ge[5]C[5,5]C[6a]2)(N[5]C[5])(COO)(H){1|H<1>,7|C<3>}	Ge[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)2(C[5]N[5]CH){1|H<1>,4|C<4>,9|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]Ge[5]CH){6|C<3>}	105.4610	0.000	2	105.4610	0.000	2	105.4610	0.000	2	105.4610	0.000	2	105.4610	0.000	2	105.4610	0.000	2
474	610	727	0:SP3_SP2_SP3	C[5]	B	C[5,6a]	3:3:4:1:	4:3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:B-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(BC[6a]3)(H)	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(BC[6a]3)(H){1|H<1>,1|P<4>,2|C<3>}	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	113.5195	0.828	2	113.5195	0.828	2
474	610	727	0:SP3_SP2_SP3	C[5]	B	C[5,6a]	3:4:3:1:	4:3:3:3:	3:3:4:	C[5,6a]-3:B-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(BC[6a]2N[6])(C[5]C[5]H)(H)	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	C[5](C[5,6a]C[5,6a]C[6a])(BC[6a]2N[6])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,1|C<4>,3|H<1>}	112.8760	0.000	1	112.8760	0.000	1	112.8760	0.000	1	112.8760	0.000	1	113.5195	0.828	2	113.5195	0.828	2
474	610	818	0:SP3_SP2_SP3	C[5]	B	C[5,5]	3:3:4:1:	4:3:3:1:	3:4:3:	C[5,5]-3:C[5]-3:B-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(BC[6a]2H)(H)	B(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(BC[6a]2H)(H){1|H<1>,1|N<3>,2|C<4>}	B(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N){2|C<4>,4|H<1>}	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	110.6413	13.300	7
474	610	818	0:SP3_SP2_SP3	C[5]	B	C[5]	3:3:4:1:	4:3:3:1:	4:3:1:	C[5,5]-3:C[5]-3:B-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(BC[6a]2H)(H)	B(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2(H)	C[5](C[5]C[5,5]BH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(BC[6a]2H)(H){1|H<1>,1|N<3>,2|C<4>}	B(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2(H)	C[5](C[5]C[5,5]BH)(C[5]C[5,5]H)(H){1|C<3>,1|C<4>}	109.7420	0.000	1	109.7420	0.000	1	109.7420	0.000	1	109.7420	0.000	1	110.6157	15.955	6	110.6413	13.300	7
474	610	818	0:SP3_SP2_SP3	C[5]	B	C[5]	3:3:4:1:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:B-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:S-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(BC[6a]3)(H)	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]P)(SPtC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(BC[6a]3)(H){1|H<1>,1|P<4>,2|C<3>}	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]P)(SPtC){2|C<3>}	116.0180	0.000	1	116.0180	0.000	1	116.0180	0.000	1	116.0180	0.000	1	110.6157	15.955	6	110.6413	13.300	7
474	610	818	0:SP3_SP2_SP3	C[5]	B	C[5]	3:4:3:1:	4:3:3:3:	4:3:1:	C[5,6a]-3:B-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(BC[6a]2N[6])(C[5]C[5]H)(H)	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(BC[6a]2N[6])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]C)(H){2|C<3>}	112.5230	0.000	1	112.5230	0.000	1	112.5230	0.000	1	112.5230	0.000	1	110.6157	15.955	6	110.6413	13.300	7
474	610	818	0:SP3_SP2_SP3	C[5]	B	C[5]	3:4:4:1:	3:3:4:1:	4:4:3:	C[5]-3:C[5]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N[6]-3:	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(BC[6a]2H)(H)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(BC[6a]2H)(H){2|C<4>,4|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2){2|C<4>,8|H<1>}	104.2340	0.000	1	104.2340	0.000	1	104.2340	0.000	1	104.2340	0.000	1	110.6157	15.955	6	110.6413	13.300	7
474	610	818	0:SP3_SP2_SP3	C[5]	B	C[5]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5]-4:C[5]-3:B-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(BC[5]HH)(H)	B(C[5]C[5]2H)(C[5]N[5]2)(H)2	C[5](C[5]C[5]BH)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(BC[5]HH)(H){2|H<1>}	B(C[5]C[5]2H)(C[5]N[5]2)(H)2	C[5](C[5]C[5]BH)(O[5]C[5])(O){4|H<1>}	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	110.6157	15.955	6	110.6413	13.300	7
474	610	818	0:SP3_SP2_SP3	C[5]	B	C[5]	4:3:4:1:	4:3:3:3:	4:3:1:	P[5]-4:C[5]-3:B-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](P[5]C[6a]2C[5])(C[5]C[5]H)(BC[6a]2C)(H)	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	C[5](C[5]P[5]BH)(C[5]C[5]C)(H)	C[5](P[5]C[6a]2C[5])(C[5]C[5]H)(BC[6a]2C)(H){1|C<4>,2|H<1>,4|C<3>}	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	C[5](C[5]P[5]BH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	110.6157	15.955	6	110.6413	13.300	7
474	610	951	0:SP3_SP-NON_SP3	C[5,6]	B	H	4:4:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,6]-4:B-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2H)(H)	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(H)	H(C[5,6]C[5,5,6]C[5,6]B)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2H)(H){1|C<4>,5|H<1>}	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(H)	H(C[5,6]C[5,5,6]C[5,6]B)	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	108.8675	5.382	2	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5,6]	B	H	4:4:4:1:	4:3:3:2:	4:	C[5,5,6]-4:C[5,6]-4:B-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H)	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(CO)	H(C[5,6]C[5,5,6]C[5,6]B)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H){1|C<4>,5|H<1>}	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(CO)	H(C[5,6]C[5,5,6]C[5,6]B)	107.2270	0.000	1	107.2270	0.000	1	107.2270	0.000	1	107.2270	0.000	1	108.8675	5.382	2	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	3:3:4:1:	4:3:3:1:	4:	C[5,5]-3:C[5]-3:B-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(BC[6a]2H)(H)	B(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5,5]C[5]B)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(BC[6a]2H)(H){1|H<1>,1|N<3>,2|C<4>}	B(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5,5]C[5]B)	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	108.8076	2.781	18	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	3:3:4:1:	4:3:3:3:	4:	C[5,6a]-3:C[5]-3:B-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(BC[6a]3)(H)	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	H(C[5]C[5,6a]C[5]B)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(BC[6a]3)(H){1|H<1>,1|P<4>,2|C<3>}	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	H(C[5]C[5,6a]C[5]B)	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	108.8076	2.781	18	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	3:4:3:1:	4:3:3:3:	4:	C[5,6a]-3:B-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(BC[6a]2N[6])(C[5]C[5]H)(H)	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	H(C[5]C[5,6a]C[5]B)	C[5](C[5,6a]C[5,6a]C[6a])(BC[6a]2N[6])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	H(C[5]C[5,6a]C[5]B)	109.8940	0.000	1	109.8940	0.000	1	109.8940	0.000	1	109.8940	0.000	1	108.8076	2.781	18	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	3:4:4:1:	3:3:4:1:	4:	C[5]-3:C[5]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(BC[6a]2H)(H)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	H(C[5]C[5]2B)	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(BC[6a]2H)(H){2|C<4>,4|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	H(C[5]C[5]2B)	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	108.8076	2.781	18	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	3:4:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:B-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]HH)(H)	B(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	H(C[5]C[5]N[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	B(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	H(C[5]C[5]N[5]B)	107.6460	0.000	1	107.6460	0.000	1	107.6460	0.000	1	107.6460	0.000	1	108.8076	2.781	18	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	4:2:4:1:	4:3:3:3:	4:	C[5]-4:O[5]-2:B-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]HP)(O[5]B[5])(BC[6a]3)(H)	B(C[5]C[5]O[5]H)(C[6a]C[6a]2)3	H(C[5]C[5]O[5]B)	C[5](C[5]C[5]HP)(O[5]B[5])(BC[6a]3)(H){1|C<3>,2|H<1>}	B(C[5]C[5]O[5]H)(C[6a]C[6a]2)3	H(C[5]C[5]O[5]B)	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	108.8076	2.781	18	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:B-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(BC[5]HH)(H)	B(C[5]C[5]2H)(C[5]N[5]2)(H)2	H(C[5]C[5]2B)	C[5](C[5]C[5]HH)(C[5]O[5]O)(BC[5]HH)(H){2|H<1>}	B(C[5]C[5]2H)(C[5]N[5]2)(H)2	H(C[5]C[5]2B)	111.1190	0.000	1	111.1190	0.000	1	111.1190	0.000	1	111.1190	0.000	1	108.8076	2.781	18	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	4:3:4:1:	4:3:3:3:	4:	P[5]-4:C[5]-3:B-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-3:	C[5]-4:	C[5](P[5]C[6a]2C[5])(C[5]C[5]H)(BC[6a]2C)(H)	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	H(C[5]C[5]P[5]B)	C[5](P[5]C[6a]2C[5])(C[5]C[5]H)(BC[6a]2C)(H){1|C<4>,2|H<1>,4|C<3>}	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	H(C[5]C[5]P[5]B)	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	108.8076	2.781	18	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	4:4:3:1:	4:3:3:3:	4:	B-4:C[5]-4:B[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	C[5]-4:	C[5](BC[6a]2N[6])(C[5]C[5]HH)(B[5]C[5]N)(H)	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	H(C[5]B[5]C[5]B)	C[5](BC[6a]2N[6])(C[5]C[5]HH)(B[5]C[5]N)(H){4|H<1>}	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	H(C[5]B[5]C[5]B)	107.5160	0.000	1	107.5160	0.000	1	107.5160	0.000	1	107.5160	0.000	1	108.8076	2.781	18	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	H(C[5]C[5]2B)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H){2|C<4>,5|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	H(C[5]C[5]2B)	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	108.8076	2.781	18	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	4:4:4:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	H(C[5]C[5]2B)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2C)(H){1|C<3>,3|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	H(C[5]C[5]2B)	107.8420	0.000	1	107.8420	0.000	1	107.5918	0.053	4	107.5690	0.042	5	108.8076	2.781	18	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	4:4:4:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	H(C[5]C[5]2B)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,5|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	H(C[5]C[5]2B)	107.5095	0.274	2	107.5095	0.075	2	107.5918	0.053	4	107.5690	0.042	5	108.8076	2.781	18	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	4:4:4:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CN)	H(C[5]C[5]2B)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,4|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CN)	H(C[5]C[5]2B)	107.5060	0.000	1	107.5060	0.000	1	107.5918	0.053	4	107.5690	0.042	5	108.8076	2.781	18	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	4:4:4:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2O)(H)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(OC)	H(C[5]C[5]2B)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2O)(H){1|C<3>,1|C<4>,2|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(OC)	H(C[5]C[5]2B)	107.4780	0.000	1	107.4780	0.000	1	107.4780	0.000	1	107.5690	0.042	5	108.8076	2.781	18	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	4:4:4:1:	3:3:4:3:	4:	C[5]-4:B-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[6]-3:	C[5]-4:	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(N[6]C[6]2)	H(C[5]C[5]2B)	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(N[6]C[6]2)	H(C[5]C[5]2B)	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	108.8076	2.781	18	108.8136	2.772	20
474	610	951	0:SP3_SP-NON_SP3	C[5]	B	H	4:4:4:1:	4:3:3:1:	4:	P[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:	C[5](P[5]C[6a]2C[5])(C[5]C[5]BH)(BC[6a]2H)(H)	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5]P[5]B)	C[5](P[5]C[6a]2C[5])(C[5]C[5]BH)(BC[6a]2H)(H){1|C<4>,3|H<1>,4|C<3>}	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(H)	H(C[5]C[5]P[5]B)	109.1455	1.149	2	109.1455	1.320	2	109.1455	1.320	2	109.1455	1.320	2	108.8076	2.781	18	108.8136	2.772	20
474	610	955	0:SP3_SP3_SP3	C[5]	B	P[5]	4:3:4:1:	4:3:3:3:	3:3:4:4:	P[5]-4:C[5]-3:B-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5](P[5]C[6a]2C[5])(C[5]C[5]H)(BC[6a]2C)(H)	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	P[5](C[6a]C[6a]2)2(C[5]C[5]BH)(C[5]C[5]HH)	C[5](P[5]C[6a]2C[5])(C[5]C[5]H)(BC[6a]2C)(H){1|C<4>,2|H<1>,4|C<3>}	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	P[5](C[6a]C[6a]2)2(C[5]C[5]BH)(C[5]C[5]HH){1|H<1>,4|C<3>,5|C<4>}	118.3300	0.000	1	118.3300	0.000	1	118.3300	0.000	1	118.3300	0.000	1	118.7367	30.396	3	118.7367	30.396	3
474	610	955	0:SP3_SP3_SP3	C[5]	B	P[5]	4:4:4:1:	4:3:3:1:	3:3:4:4:	P[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5](P[5]C[6a]2C[5])(C[5]C[5]BH)(BC[6a]2H)(H)	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]BH)(C[5]C[5]HH)	C[5](P[5]C[6a]2C[5])(C[5]C[5]BH)(BC[6a]2H)(H){1|C<4>,3|H<1>,4|C<3>}	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]BH)(C[5]C[5]HH){1|B<3>,1|C<4>,4|C<3>,6|H<1>}	118.9400	7.781	2	118.9400	60.544	2	118.9400	60.544	2	118.9400	60.544	2	118.7367	30.396	3	118.7367	30.396	3
474	610	976	0:SP3_SP2_SP3	C[5]	B	O[5]	4:2:4:1:	4:3:3:3:	3:4:	C[5]-4:O[5]-2:B-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[5]-4:	C[5](C[5]C[5]HP)(O[5]B[5])(BC[6a]3)(H)	B(C[5]C[5]O[5]H)(C[6a]C[6a]2)3	O[5](B[5]C[6a]C[5])(C[5]C[5]BH)	C[5](C[5]C[5]HP)(O[5]B[5])(BC[6a]3)(H){1|C<3>,2|H<1>}	B(C[5]C[5]O[5]H)(C[6a]C[6a]2)3	O[5](B[5]C[6a]C[5])(C[5]C[5]BH){1|P<4>,2|C<3>,3|H<1>}	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1
474	618	618	0:SP3_SP2_SP2	C[5]	B[6]	B[6]	3:4:3:3:	4:2:2:	4:2:2:	N[5]-3:C[5]-4:B[6]-3:B[6]-3:	C[5]-4:O[6]-2:O[6]-2:	C[5]-4:O[6]-2:O[6]-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[6]O[6]2)2	B[6](C[5]B[6]C[5]N[5])(O[6]C[6])2	B[6](C[5]B[6]C[5]N[5])(O[6]C[6])2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[6]O[6]2)2{2|C<3>,2|H<1>,6|C<4>}	B[6](C[5]B[6]C[5]N[5])(O[6]C[6])2{1|C<3>,2|O<2>,4|H<1>,5|C<4>}	B[6](C[5]B[6]C[5]N[5])(O[6]C[6])2{1|C<3>,2|O<2>,4|H<1>,5|C<4>}	103.6250	0.000	1	103.6250	0.000	1	103.6250	0.000	1	103.6250	0.000	1	103.6250	0.000	1	103.6250	0.000	1
474	618	818	6:SP3_SP2_SP2	C[5,6]	B[6]	C[5,6]	3:4:3:3:	4:4:1:	4:3:4:	C[5,6]-3:C[5]-4:B[6]-3:C-3:	C[5,6]-4:C[6]-4:Cl-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(B[6]C[6]Cl)(CC[6a]C)	B[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]B[6]C[5])(Cl)	C[5,6](C[5,6]B[6]C[5]C)(C[6]C[6a]B[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(B[6]C[6]Cl)(CC[6a]C){1|B<3>,3|C<3>,4|H<1>}	B[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]B[6]C[5])(Cl){1|Cl<1>,2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]B[6]C[5]C)(C[6]C[6a]B[6])(C[5]C[5]HH){2|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	101.6310	0.000	1	101.6310	0.000	1	101.6310	0.000	1	101.6310	0.000	1	101.6310	0.000	1	101.6310	0.000	1
474	618	930	0:SP3_SP2_SP2	C[5,6]	B[6]	C	3:4:3:3:	4:4:1:	4:3:3:	C[5,6]-3:C[5]-4:B[6]-3:C-3:	C[5,6]-4:C[6]-4:Cl-1:	C[5,6]-4:C[6a]-3:C-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(B[6]C[6]Cl)(CC[6a]C)	B[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]B[6]C[5])(Cl)	C(C[5,6]C[5,6]B[6]C[5])(C[6a]C[6a]2)(CC[6a]C[5])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(B[6]C[6]Cl)(CC[6a]C){1|B<3>,3|C<3>,4|H<1>}	B[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]B[6]C[5])(Cl){1|Cl<1>,2|H<1>,3|C<4>,4|C<3>}	C(C[5,6]C[5,6]B[6]C[5])(C[6a]C[6a]2)(CC[6a]C[5])	113.0240	0.000	1	113.0240	0.000	1	113.0240	0.000	1	113.0240	0.000	1	113.0240	0.000	1	113.0240	0.000	1
474	622	622	6:SP3_SP2_SP2	C[5,6]	O[6]	O[6]	2:2:3:3:	3:4:	3:4:	O[6]-2:O[6]-2:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](O[6]C[6,6a])2(C[5]C[5]C)(C[5]C[5]H)	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2O[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2O[6])	C[5,6](O[6]C[6,6a])2(C[5]C[5]C)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2O[6]){1|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2O[6]){1|C<4>,2|H<1>,5|C<3>}	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	110.4175	1.121	2	110.4175	1.121	2
474	622	622	6:SP3_SP2_SP2	C[5,6]	O[6]	O[6]	4:2:2:4:	3:4:	3:4:	C[5,5]-4:O[6]-2:O[6]-2:C[5]-4:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,5]C[5]3)(O[6]C[6,6a])2(C[5]C[5]HH)	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,5]C[5]O[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,5]C[5]O[6])	C[5,6](C[5,5]C[5]3)(O[6]C[6,6a])2(C[5]C[5]HH){2|H<1>,2|O<1>,2|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,5]C[5]O[6]){2|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,5]C[5]O[6]){2|C<4>,3|H<1>,5|C<3>}	111.1660	0.000	1	111.1660	0.000	1	111.1660	0.000	1	111.1660	0.000	1	110.4175	1.121	2	110.4175	1.121	2
474	622	622	6:SP3_SP2_SP3	C[5,6,6]	O[6,6]	O[6]	4:2:4:2:	4:4:	4:3:	C[5,6]-4:O[6,6]-2:C[5]-4:O[6]-2:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6])	O[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[3x6]C[6,6]2C[6])	O[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6,6]O)	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	O[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[3x6]C[6,6]2C[6]){1|O<1>,2|C<3>,3|H<1>,6|C<4>}	O[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6,6]O){1|C<3>,3|H<1>,4|C<4>}	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1
474	622	622	6:SP3_SP3_SP3	C[5,6]	O[6]	O[6]	2:2:2:2:	4:4:	4:4:	O[6]-2:O[6]-2:O[5]-2:O[5]-2:	C[5,5,6]-4:C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[6]C[5,5,6])(O[6]C[5,6,6])(O[5]C[5,6a])2	O[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]O[5]2O[6])	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[5,6]O[5]2O[6])	C[5,6](O[6]C[5,5,6])(O[6]C[5,6,6])(O[5]C[5,6a])2{2|C<3>,2|H<1>,3|C<4>}	O[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]O[5]2O[6]){2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[5,6]O[5]2O[6]){2|C<3>,3|C<4>,3|H<1>}	114.7740	0.000	1	114.7740	0.000	1	114.7740	0.000	1	114.7740	0.000	1	110.8995	1.714	18	110.8995	1.714	18
474	622	622	6:SP3_SP3_SP3	C[5,6]	O[6]	O[6]	2:4:2:3:	4:4:	4:4:	O[6]-2:C[5]-4:O[6]-2:C[5]-3:	C[5,6,6]-4:C[5,6]-4:	C[6,6]-4:C[5,6]-4:	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6,6])(C[5]C[5]H)	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6])	O[6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5]2O[6])	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6,6])(C[5]C[5]H){3|C<4>,4|H<1>}	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6]){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	O[6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5]2O[6]){2|C<3>,4|C<4>,5|H<1>}	110.9210	0.000	1	110.9210	0.000	1	110.9210	0.000	1	110.9210	0.000	1	110.8995	1.714	18	110.8995	1.714	18
474	622	622	6:SP3_SP3_SP3	C[5,6]	O[6]	O[6]	2:4:4:2:	4:4:	4:4:	O[6]-2:C[5]-4:C[5]-4:O[6]-2:	C[5,6,6]-4:C[5,6]-4:	C[6,6]-4:C[5,6]-4:	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)2(O[6]C[6,6])	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6])	O[6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5]2O[6])	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)2(O[6]C[6,6]){3|C<4>,4|H<1>}	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6]){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	O[6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5]2O[6]){2|C<3>,4|C<4>,6|H<1>}	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	110.8995	1.714	18	110.8995	1.714	18
474	622	622	6:SP3_SP3_SP3	C[5,6]	O[6]	O[6]	3:3:2:2:	4:4:	4:4:	C[5,6a]-3:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])2	O[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HH)	O[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])2{1|C<4>,2|C<3>,6|H<1>}	O[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.9250	0.000	1	112.9250	0.000	1	112.9250	0.000	1	112.9250	0.000	1	110.8995	1.714	18	110.8995	1.714	18
474	622	622	6:SP3_SP3_SP3	C[5,6]	O[6]	O[6]	4:3:2:2:	4:4:	4:4:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]C)(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]C)(O[6]C[6])2{3|C<4>,6|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){3|C<3>,5|C<4>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){3|C<3>,5|C<4>}	112.4840	0.000	1	112.4840	0.000	1	110.3281	1.080	7	110.3281	1.080	7	110.8995	1.714	18	110.8995	1.714	18
474	622	622	6:SP3_SP3_SP3	C[5,6]	O[6]	O[6]	4:3:2:2:	4:4:	4:4:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]H)(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,5|C<4>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,5|C<4>}	109.9320	0.000	1	109.9320	0.000	1	110.3281	1.080	7	110.3281	1.080	7	110.8995	1.714	18	110.8995	1.714	18
474	622	622	6:SP3_SP3_SP3	C[5,6]	O[6]	O[6]	4:3:2:2:	4:4:	4:4:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	110.1500	0.000	1	109.9117	0.047	3	110.3281	1.080	7	110.3281	1.080	7	110.8995	1.714	18	110.8995	1.714	18
474	622	622	6:SP3_SP3_SP3	C[5,6]	O[6]	O[6]	4:3:2:2:	4:4:	4:4:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	109.8600	0.000	1	109.9117	0.047	3	110.3281	1.080	7	110.3281	1.080	7	110.8995	1.714	18	110.8995	1.714	18
474	622	622	6:SP3_SP3_SP3	C[5,6]	O[6]	O[6]	4:3:2:2:	4:4:	4:4:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2{3|C<4>,5|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	109.7250	0.000	1	109.9117	0.047	3	110.3281	1.080	7	110.3281	1.080	7	110.8995	1.714	18	110.8995	1.714	18
474	622	622	6:SP3_SP3_SP3	C[5,6]	O[6]	O[6]	4:3:2:2:	4:4:	4:4:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,6]CC)(C[5]C[5,6]H)(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,6]CC)(C[5]C[5,6]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,5|C<4>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,5|C<4>}	109.3910	0.000	1	109.3910	0.000	1	110.3281	1.080	7	110.3281	1.080	7	110.8995	1.714	18	110.8995	1.714	18
474	622	622	6:SP3_SP3_SP3	C[5,6]	O[6]	O[6]	4:3:2:2:	4:4:	4:4:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,6]CH)(C[5]C[5,6]H)(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,6]CH)(C[5]C[5,6]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	110.7550	0.000	1	110.7550	0.000	1	110.3281	1.080	7	110.3281	1.080	7	110.8995	1.714	18	110.8995	1.714	18
474	622	622	6:SP3_SP3_SP3	C[5,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2{1|C<3>,2|C<4>,6|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){4|H<1>,5|C<4>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){4|H<1>,5|C<4>}	110.6240	0.096	2	110.6050	0.087	5	110.7197	0.098	7	110.7197	0.098	7	110.8995	1.714	18	110.8995	1.714	18
474	622	622	6:SP3_SP3_SP3	C[5,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2{3|C<4>,6|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){4|H<1>,5|C<4>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){4|H<1>,5|C<4>}	110.5923	0.410	3	110.6050	0.087	5	110.7197	0.098	7	110.7197	0.098	7	110.8995	1.714	18	110.8995	1.714	18
474	622	622	6:SP3_SP3_SP3	C[5,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]CC)(C[5]C[5]HH)(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5]CC)(C[5]C[5]HH)(O[6]C[6])2{2|C<4>,7|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	111.0800	0.000	1	111.0800	0.000	1	110.7197	0.098	7	110.7197	0.098	7	110.8995	1.714	18	110.8995	1.714	18
474	622	622	6:SP3_SP3_SP3	C[5,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]HH)2(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HH)	O[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HH)	C[5,6](C[5]C[5]HH)2(O[6]C[6])2{1|C<4>,8|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HH){4|H<1>,5|C<4>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HH){4|H<1>,5|C<4>}	110.9330	0.000	1	110.9330	0.000	1	110.7197	0.098	7	110.7197	0.098	7	110.8995	1.714	18	110.8995	1.714	18
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	2:3:2:4:	4:3:	4:3:3:	O[5,6]-2:C[6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH)	O[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6]O[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH){3|H<1>,5|C<3>}	O[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6]O[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	106.6570	0.000	1	106.6570	0.000	1	106.6570	0.000	1	106.6570	0.000	1	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6]C[5,6a]C[5,6]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5,6]C[5,6a]C[5,6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	109.7300	0.000	1	109.7300	0.000	1	109.7300	0.000	1	110.1240	0.310	2	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<1>,2|H<1>,6|C<3>}	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	110.1240	0.310	2	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	3:4:3:2:	4:3:	4:3:3:	N[5,5a]-3:C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[5,6]N[5,5a]C[5,6]C[6a])(C[6]C[6]N)	C[6a](C[5,6]N[5,5a]C[5,6]O[6])(C[6a]C[6a]H)2	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	O[6](C[5,6]N[5,5a]C[5,6]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5,6]N[5,5a]C[5,6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|H<1>,4|C<3>}	109.0485	0.226	2	109.0485	0.051	2	109.0485	0.051	2	109.0485	0.051	2	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	4:3:2:2:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5])	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5]){1|H<1>,2|O<2>,6|C<3>}	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|H<1>}	106.8350	0.000	1	106.8350	0.000	1	105.9345	1.622	2	105.9345	1.622	2	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	4:3:2:2:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5])	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5]){1|H<1>,1|O<2>,1|S<2>,6|C<3>}	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,3|C<3>,3|H<1>}	105.0340	0.000	1	105.0340	0.000	1	105.9345	1.622	2	105.9345	1.622	2	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	4:3:2:2:	4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){1|C<4>,5|H<1>,6|C<3>}	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	106.5670	0.274	2	106.8326	2.627	5	106.8140	1.896	7	106.8140	1.896	7	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	4:3:2:2:	4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){2|C<4>,5|C<3>,5|H<1>}	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	107.0097	2.258	3	106.8326	2.627	5	106.8140	1.896	7	106.8140	1.896	7	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	4:3:2:2:	4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5]){3|H<1>,6|C<3>}	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	106.1110	0.000	1	106.1110	0.000	1	106.8140	1.896	7	106.8140	1.896	7	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	4:3:2:2:	4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5]){4|H<1>,5|C<3>}	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	107.4240	0.000	1	107.4240	0.000	1	106.8140	1.896	7	106.8140	1.896	7	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	4:3:2:3:	4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-3:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O)	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O){2|H<1>,8|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,7|C<3>}	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	108.4300	0.000	1	108.4300	0.000	1	108.4300	0.000	1	108.4300	0.000	1	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	4:3:2:4:	4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH)	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH){3|H<1>,4|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,6|H<1>}	106.3410	0.000	1	106.3410	0.000	1	106.3410	0.000	1	106.3410	0.000	1	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	4:3:3:2:	4:3:	4:3:3:	C[5,5]-4:N[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	O[6](C[5,6]C[5,5]N[5,6]C[6a])(C[6]C[6a]C[6])	C[6a](C[5,6]C[5,5]N[5,6]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){10|C<3>,2|H<1>,2|O<1>}	O[6](C[5,6]C[5,5]N[5,6]C[6a])(C[6]C[6a]C[6]){1|C<4>,9|C<3>}	C[6a](C[5,6]C[5,5]N[5,6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	108.3330	0.000	1	108.3330	0.000	1	108.3330	0.000	1	107.0387	1.616	3	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	4:3:3:2:	4:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<1>,2|H<1>,9|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,6|C<3>}	105.7920	0.000	1	105.7920	0.000	1	105.7920	0.000	1	107.0387	1.616	3	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	4:3:3:2:	4:3:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(O[6]C[6,6a])	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(O[6]C[6,6a]){3|H<1>,6|C<3>}	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	106.9910	0.000	1	106.9910	0.000	1	106.9910	0.000	1	107.0387	1.616	3	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP2	C[5,6]	O[6]	C[6a]	4:4:3:2:	4:3:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,3|H<1>,7|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	103.9260	0.595	2	103.9260	0.354	2	103.9260	0.354	2	103.9260	0.354	2	107.0623	3.439	21	107.0623	3.439	21
474	622	643	0:SP3_SP2_SP3	C[5,6,6]	O[6,6]	C[6a]	4:2:3:2:	4:4:	4:3:3:	C[5,3x6]-4:O[6,6]-2:C[6a]-3:O[5]-2:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5])	O[6,6](C[5,6,6]C[5,3x6]C[6a]O[5])(C[3x6]C[6,6]O[6,6]C)	C[6a](C[5,6,6]C[5,3x6]O[6,6]O[5])(C[6a]C[6a]H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5]){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O[6,6](C[5,6,6]C[5,3x6]C[6a]O[5])(C[3x6]C[6,6]O[6,6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6,6]C[5,3x6]O[6,6]O[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	110.0030	0.000	1	110.0030	0.000	1	110.0030	0.000	1	110.0030	0.000	1	108.4865	4.600	2	109.5369	7.071	13
474	622	643	0:SP3_SP2_SP3	C[5,6,6]	O[6,6]	C[6a]	4:3:2:3:	4:4:	4:3:3:	C[5,3x6]-4:C[5]-3:O[6,6]-2:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2)	O[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]2C[6a])	C[6a](C[5,6,6]C[5,3x6]O[6,6]C[5])(C[6a]C[6a]H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	O[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]2C[6a]){1|C<4>,2|H<1>,9|C<3>}	C[6a](C[5,6,6]C[5,3x6]O[6,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	106.9700	0.000	1	106.9700	0.000	1	106.9700	0.000	1	106.9700	0.000	1	108.4865	4.600	2	109.5369	7.071	13
474	622	643	0:SP3_SP2_SP3	C[5,6]	O[6]	C[6a]	3:3:3:2:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]HH)	C[6a](C[5,6]C[5,6a]C[5,6]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,5|H<1>,6|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]HH){7|C<3>}	C[6a](C[5,6]C[5,6a]C[5,6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	109.7279	7.764	11	109.5369	7.071	13
474	622	643	0:SP3_SP2_SP3	C[5,6]	O[6]	C[6a]	3:3:4:2:	4:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](N[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[5,6,6]HH)	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[5,6,6]HH){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	111.8190	0.277	2	111.8190	0.077	2	111.6855	0.173	4	111.6855	0.173	4	109.7279	7.764	11	109.5369	7.071	13
474	622	643	0:SP3_SP2_SP3	C[5,6]	O[6]	C[6a]	3:3:4:2:	4:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	111.9830	0.000	1	111.9830	0.000	1	111.6855	0.173	4	111.6855	0.173	4	109.7279	7.764	11	109.5369	7.071	13
474	622	643	0:SP3_SP2_SP3	C[5,6]	O[6]	C[6a]	3:3:4:2:	4:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6]HH)	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6]HH){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	111.1210	0.000	1	111.1210	0.000	1	111.6855	0.173	4	111.6855	0.173	4	109.7279	7.764	11	109.5369	7.071	13
474	622	643	0:SP3_SP2_SP3	C[5,6]	O[6]	C[6a]	4:3:2:2:	4:4:	4:3:3:	C[5,6,6]-4:C[6a]-3:O[5]-2:O[6]-2:	C[5,6]-4:B[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6])	O[6](C[5,6]C[5,6,6]C[6a]O[5])(B[6]C[6a]2C[6])	C[6a](C[5,6]C[5,6,6]O[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6]){1|P<4>,2|C<4>,3|H<1>,5|C<3>}	O[6](C[5,6]C[5,6,6]C[6a]O[5])(B[6]C[6a]2C[6]){1|C<4>,3|H<1>,8|C<3>}	C[6a](C[5,6]C[5,6,6]O[5]O[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,3|C<3>,3|H<1>}	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	109.7279	7.764	11	109.5369	7.071	13
474	622	643	0:SP3_SP2_SP3	C[5,6]	O[6]	C[6a]	4:3:3:2:	4:4:	4:3:3:	C[5,5]-4:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	O[6](C[5,6]C[5,5]C[5,6]C[6a])(C[6]C[6,6a]HH)	C[6a](C[5,6]C[5,5]C[5,6]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,5|H<1>,7|C<3>}	O[6](C[5,6]C[5,5]C[5,6]C[6a])(C[6]C[6,6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5,6]C[5,5]C[5,6]O[6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	110.6740	1.485	2	110.6740	2.205	2	110.6740	2.205	2	108.6617	13.251	3	109.7279	7.764	11	109.5369	7.071	13
474	622	643	0:SP3_SP2_SP3	C[5,6]	O[6]	C[6a]	4:3:3:2:	4:4:	4:3:3:	C[5,6]-4:N[5]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HH)	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,6|H<1>}	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	104.6370	0.000	1	104.6370	0.000	1	104.6370	0.000	1	108.6617	13.251	3	109.7279	7.764	11	109.5369	7.071	13
474	622	643	0:SP3_SP2_SP3	C[5,6]	O[6]	C[6a]	4:3:4:2:	4:4:	4:3:3:	C[5,6,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6])	O[6](C[5,6]C[5,6,6]C[6a]C[5])(C[6]C[6a]C[6]H)	C[6a](C[5,6]C[5,6,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	O[6](C[5,6]C[5,6,6]C[6a]C[5])(C[6]C[6a]C[6]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6,6]C[5]O[6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	104.2300	0.000	1	104.2300	0.000	1	104.2300	0.000	1	107.2935	18.770	2	109.7279	7.764	11	109.5369	7.071	13
474	622	643	0:SP3_SP2_SP3	C[5,6]	O[6]	C[6a]	4:3:4:2:	4:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[5a,6]HH)	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6]){4|C<3>,6|H<1>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[5a,6]HH){1|C<4>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,5|H<1>}	110.3570	0.000	1	110.3570	0.000	1	110.3570	0.000	1	107.2935	18.770	2	109.7279	7.764	11	109.5369	7.071	13
474	622	643	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6,6a]	3:3:2:2:	4:3:	4:3:3:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6a]C[6])	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	O[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6a]C[6]){1|C<4>,2|I<1>,5|C<3>}	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|I<1>,3|C<3>}	111.9730	0.000	1	111.0655	1.647	2	111.0655	1.647	2	111.0655	1.647	2	110.4703	1.886	3	110.4703	1.886	3
474	622	643	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6,6a]	3:3:2:2:	4:3:	4:3:3:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6a]C[6])	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|H<1>,1|I<1>,2|C<4>,4|C<3>}	O[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6a]C[6]){1|C<4>,2|I<1>,5|C<3>}	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|I<1>,3|C<3>}	110.1580	0.000	1	111.0655	1.647	2	111.0655	1.647	2	111.0655	1.647	2	110.4703	1.886	3	110.4703	1.886	3
474	622	643	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6,6a]	3:3:2:4:	4:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[5]C[5]HH)	O[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[5]C[5]HH){4|H<1>,6|C<3>}	O[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	110.4703	1.886	3	110.4703	1.886	3
474	622	643	6:SP3_SP2_SP3	C[5,3x6]	O[6,6]	C[6,6,6a]	3:3:3:2:	4:2:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:O[6,6]-2:	C[5,3x6]-4:O[6,6]-2:	C[5,3x6]-4:C[3x6,6a]-3:C[6a,6a]-3:	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6])	O[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(O[6,6]C[4x6])	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]O[6,6])(C[3x6,6a]C[6,6a]C[4x6])(C[6a,6a]C[6a,6a]C[6a])	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6]){1|H<1>,3|C<4>,6|C<3>}	O[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(O[6,6]C[4x6]){1|Si<4>,6|C<3>}	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]O[6,6])(C[3x6,6a]C[6,6a]C[4x6])(C[6a,6a]C[6a,6a]C[6a]){2|Si<4>,1|H<1>,1|O<2>,7|C<3>}	106.7770	0.000	1	106.7770	0.000	1	106.7770	0.000	1	106.7770	0.000	1	106.7770	0.000	1	108.3980	5.255	2
474	622	643	6:SP3_SP2_SP3	C[5,6,6]	O[6]	C[6,6a]	4:3:4:2:	4:4:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:O[6]-2:	C[5,6,6]-4:P[6]-4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6])	O[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(P[6]C[6,6]NO)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	O[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(P[6]C[6,6]NO){4|C<3>,6|C<4>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>,6|C<4>}	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	108.3980	5.255	2
474	622	727	0:SP3_SP2_SP2	C[5,5,6]	O[6]	C[5,6a]	4:3:2:2:	4:3:	4:3:3:	C[3x5,6]-4:C[5,6a]-3:O[6]-2:O[5]-2:	C[5,5,6]-4:C[6,6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(O[5]C[5])	O[6](C[5,5,6]C[3x5,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,5,6]C[3x5,6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(O[5]C[5]){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	O[6](C[5,5,6]C[3x5,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,5,6]C[3x5,6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	113.7600	0.000	1	113.7600	0.000	1	113.7600	0.000	1	113.7600	0.000	1	113.7600	0.000	1	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6,6]	O[6]	C[5,6a]	4:3:2:3:	4:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:O[6]-2:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C)	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	112.6790	0.000	1	112.6790	0.000	1	112.6790	0.000	1	112.6790	0.000	1	108.6990	11.940	3	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6,6]	O[6]	C[5,6a]	4:3:4:2:	4:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:O[6]-2:	C[5,6,6]-4:C[5,6]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[5,6])	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[5,6]){1|C<4>,2|H<1>,3|O<1>,8|C<3>}	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]){1|H<1>,2|C<4>,8|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	106.7090	0.345	2	106.7090	0.119	2	106.7090	0.119	2	106.7090	0.119	2	108.6990	11.940	3	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:2:2:1:	4:3:	3:4:3:	C[5,6a]-3:O[5,6]-2:O[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(O[6]C[6,6a])(H)	O[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[6]H)(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(O[6]C[6,6a])(H){1|H<1>,1|O<2>,4|C<3>}	O[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[6]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	110.1525	0.193	2	110.1525	0.037	2	110.1525	0.037	2	110.1525	0.037	2	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:2:3:2:	4:3:	4:3:3:	C[5,6a]-3:O[6]-2:C[6]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	105.3687	0.325	3	105.3687	0.106	3	105.3687	0.106	3	105.3687	0.106	3	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:2:4:2:	4:3:	4:3:3:	C[5,6a]-3:O[6]-2:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	105.6300	0.000	1	106.4840	0.585	3	106.4840	0.585	3	106.4840	0.585	3	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:2:4:2:	4:3:	4:3:3:	C[5,6a]-3:O[6]-2:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5]){4|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	106.9110	0.277	2	106.4840	0.585	3	106.4840	0.585	3	106.4840	0.585	3	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:2:4:3:	4:3:	4:3:3:	C[5,6a]-3:O[6]-2:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]N[6]HH)(C[5]N[5]O)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]N[6]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a]){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	110.3240	0.000	1	110.3240	0.000	1	110.3240	0.000	1	110.3240	0.000	1	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:2:	4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:O[5,6]-2:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5,6]C[5,6])(O[6]C[6,6a])	O[6](C[5,6]C[5,6a]O[5,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6]O[5,6]C[5a]O[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5,6]C[5,6])(O[6]C[6,6a]){1|H<1>,1|O<2>,7|C<3>}	O[6](C[5,6]C[5,6a]O[5,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6]O[5,6]C[5a]O[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:3:	3:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6])	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6]){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	109.5140	4.596	2	109.5140	21.125	2	109.1997	10.853	4	109.1997	10.853	4	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:3:	3:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6])	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6]){1|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	108.8855	3.323	2	108.8855	11.040	2	109.1997	10.853	4	109.1997	10.853	4	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:4:	4:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[5]C[5]HH)	O[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6]C[6,6a]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[5]C[5]HH){4|H<1>,6|C<3>}	O[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,6|H<1>}	107.7670	0.000	1	107.7670	0.000	1	107.7670	0.000	1	107.7670	0.000	1	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:3:2:	4:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	109.3810	1.976	2	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:3:2:	4:3:	4:3:3:	N[5a,6]-3:C[5,6a]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6,6a]O)	C[5,6a](C[5,6]N[5a,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6,6a]O){1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1	109.3810	1.976	2	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:2:1:	4:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]Br)(O[6]C[6,6a])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]Br)(O[6]C[6,6a])(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|Br<1>,1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H){1|Br<1>,4|C<3>}	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:2:1:	4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	111.3690	0.000	1	111.3690	0.000	1	111.0400	22.430	3	111.0400	22.430	3	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:2:1:	4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[6]O)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[6]O){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.6030	0.000	1	115.6030	0.000	1	111.0400	22.430	3	111.0400	22.430	3	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:2:1:	4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){4|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	106.1480	0.000	1	106.1480	0.000	1	111.0400	22.430	3	111.0400	22.430	3	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:2:2:	4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:O-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH)	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6]C[5,6]O[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH){1|O<1>,2|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	106.0830	1.983	2	106.0830	3.931	2	106.0830	3.931	2	106.0830	3.931	2	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:2:4:	4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO)	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.9060	0.679	3	111.1808	0.609	4	111.1808	0.609	4	111.1808	0.609	4	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:2:4:	4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO)	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	112.0050	0.000	1	111.1808	0.609	4	111.1808	0.609	4	111.1808	0.609	4	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	106.9750	0.000	1	110.0525	18.942	2	109.1715	4.332	15	109.1715	4.332	15	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6]){1|H<1>,1|O<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	113.1300	0.000	1	110.0525	18.942	2	109.1715	4.332	15	109.1715	4.332	15	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	107.7910	0.000	1	110.5095	14.780	2	109.1715	4.332	15	109.1715	4.332	15	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	113.2280	0.000	1	110.5095	14.780	2	109.1715	4.332	15	109.1715	4.332	15	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	109.2440	0.000	1	109.2440	0.000	1	109.1715	4.332	15	109.1715	4.332	15	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	110.4970	0.000	1	108.4980	1.913	5	109.1715	4.332	15	109.1715	4.332	15	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	107.6885	1.438	2	108.4980	1.913	5	109.1715	4.332	15	109.1715	4.332	15	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	108.6310	0.000	1	108.4980	1.913	5	109.1715	4.332	15	109.1715	4.332	15	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	107.9850	0.000	1	108.4980	1.913	5	109.1715	4.332	15	109.1715	4.332	15	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	109.6153	1.227	3	109.6153	1.505	3	109.1715	4.332	15	109.1715	4.332	15	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HN)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HN)(C[5]N[5]O)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	107.9345	2.280	2	107.9345	5.200	2	109.1715	4.332	15	109.1715	4.332	15	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:4:4:2:	4:3:	4:3:3:	C[5,6a]-3:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]NN)(C[6]C[6]HH)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]NN)(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	104.4580	0.000	1	104.4580	0.000	1	104.4580	0.000	1	104.4580	0.000	1	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6a]	4:3:2:1:	4:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(H)	O[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6a,6a]C[6,6a])	C[5,6a](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	O[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6a,6a]C[6,6a]){1|O<2>,2|C<4>,5|C<3>}	C[5,6a](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C){1|O<2>,2|C<4>,3|C<3>}	116.5190	0.000	1	116.5190	0.000	1	116.5190	0.000	1	116.5190	0.000	1	109.0032	7.876	44	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5a]	3:3:2:2:	4:3:	4:3:2:	C[5,6a]-3:C[5a]-3:O[5,6]-2:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5a]-3:N[5a]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5,6]C[5,6])(O[6]C[6,6a])	O[6](C[5,6]C[5,6a]O[5,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[5a](C[5,6]C[5,6a]O[5,6]O[6])(C[5a]C[5a]C)(N[5a]O[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5,6]C[5,6])(O[6]C[6,6a]){1|H<1>,1|O<2>,7|C<3>}	O[6](C[5,6]C[5,6a]O[5,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5,6]C[5,6a]O[5,6]O[6])(C[5a]C[5a]C)(N[5a]O[5a]){2|C<4>,3|C<3>}	105.2840	0.000	1	105.2840	0.000	1	105.2840	0.000	1	105.2840	0.000	1	105.2840	0.000	1	109.0058	8.319	49
474	622	727	0:SP3_SP2_SP3	C[5,3x6]	O[6,6]	C[5,6a]	3:3:3:2:	4:2:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:O[6,6]-2:	C[5,3x6]-4:O[6,6]-2:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6])	O[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(O[6,6]C[4x6])	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]O[6,6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6]){1|H<1>,3|C<4>,6|C<3>}	O[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(O[6,6]C[4x6]){1|Si<4>,6|C<3>}	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]O[6,6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	101.9750	0.000	1	101.9750	0.000	1	101.9750	0.000	1	101.9750	0.000	1	101.9750	0.000	1	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,5,6]	O[6]	C[5,6a]	3:3:4:2:	4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6]-4:O[6]-2:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5]2O[6])(O[6]C[5,5,6])	O[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5,6]C[5]2)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5]2O[6])(O[6]C[5,5,6]){3|C<4>,4|C<3>,6|H<1>}	O[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5,6]C[5]2){1|O<2>,2|C<4>,4|H<1>,8|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	110.6715	6.332	4	110.6715	40.089	4	110.6715	40.089	4	110.6715	40.089	4	110.8010	30.151	5	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,5,6]	O[6]	C[5,6a]	3:4:4:2:	4:4:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[6,6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2O[6])(C[5]C[5]HH)(O[6]C[6,6])	O[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6,6]O)	C[5,6a](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2O[6])(C[5]C[5]HH)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	O[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6,6]O){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	110.8010	30.151	5	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:3:2:1:	4:4:	3:3:4:	C[5,6,6a]-3:C[5,6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6a,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6,6a])(O[6]C[6,6])(H)	O[6](C[5,6]C[5,6,6a]C[5,6a]H)(C[6,6]C[3x6]C[6a]N[6])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a,6a]S[6])(C[5,6]C[5,6,6a]O[6]H)	C[5,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6,6a])(O[6]C[6,6])(H){1|C<4>,1|N<3>,1|S<2>,5|C<3>}	O[6](C[5,6]C[5,6,6a]C[5,6a]H)(C[6,6]C[3x6]C[6a]N[6]){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a,6a]S[6])(C[5,6]C[5,6,6a]O[6]H){1|C<4>,6|C<3>}	114.6710	0.000	1	114.6710	0.000	1	114.6710	0.000	1	114.6710	0.000	1	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:3:2:1:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H){1|Ni<4>,1|C<2>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH){1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	114.7865	0.575	2	114.7865	0.330	2	113.8633	2.722	3	113.8633	2.722	3	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:3:2:1:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO){1|N<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	112.0170	0.000	1	112.0170	0.000	1	113.8633	2.722	3	113.8633	2.722	3	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:3:2:2:	4:4:	3:4:3:	C[5,6a]-3:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])2	O[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]O[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])2{1|C<4>,2|C<3>,6|H<1>}	O[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]O[6]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	109.4260	1.435	2	109.4260	2.060	2	109.4260	2.060	2	109.4260	2.060	2	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:3:2:2:	4:4:	4:3:3:	C[5,6a]-3:C[6]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6]){4|C<3>,5|H<1>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	105.6210	0.000	1	105.6210	0.000	1	105.6210	0.000	1	105.6210	0.000	1	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:3:2:4:	4:4:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3)	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]O[6]C)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3){3|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]HH){5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]O[6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:3:2:4:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3)	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]HH)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3){3|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]HH){5|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	110.1900	0.000	1	110.1900	0.000	1	110.1900	0.000	1	110.1900	0.000	1	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:3:3:2:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]HH)	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,5|H<1>,6|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]HH){7|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	108.7537	0.591	3	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:3:3:2:	4:4:	4:3:3:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH)	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	108.8190	0.000	1	108.3865	0.374	2	108.3865	0.374	2	108.7537	0.591	3	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:3:3:2:	4:4:	4:3:3:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH)	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){4|C<3>,4|H<1>}	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	107.9540	0.000	1	108.3865	0.374	2	108.3865	0.374	2	108.7537	0.591	3	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:3:4:2:	4:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C-4:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(CC[6a]CH)(O[6]C[6])	O[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]HH)	C[5,6a](C[5,6]N[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(CC[6a]CH)(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	112.6090	0.000	1	112.6090	0.000	1	112.6090	0.000	1	112.6090	0.000	1	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:4:2:1:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CO)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CO){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	107.0630	0.208	2	107.0630	0.043	2	108.5924	19.192	5	108.5924	19.192	5	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:4:2:1:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	116.3450	0.000	1	116.3450	0.000	1	108.5924	19.192	5	108.5924	19.192	5	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:4:2:1:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]C)(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]C)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO){1|C<4>,5|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	106.9260	0.000	1	106.9260	0.000	1	108.5924	19.192	5	108.5924	19.192	5	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:4:2:1:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	105.5650	0.000	1	105.5650	0.000	1	108.5924	19.192	5	108.5924	19.192	5	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:4:2:2:	4:4:	4:3:3:	C[5,6a]-3:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]Cl2)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]HH)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]Cl2)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]HH){2|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.6240	0.000	1	110.6240	0.000	1	110.6240	0.000	1	110.6240	0.000	1	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:4:2:3:	4:4:	4:3:3:	C[5,6a]-3:C[6]-4:O[6]-2:C[5]-3:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(O[6]C[6,6])(C[5]N[5]O)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]N[6,6]N[6]H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(O[6]C[6,6])(C[5]N[5]O){2|C<3>,2|N<3>,5|H<1>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]N[6,6]N[6]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	108.2045	0.653	2	108.2045	0.426	2	108.2045	0.426	2	108.2045	0.426	2	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:4:2:4:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(O[6]C[6,6])(CH3)	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6a]N[6,6]H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(O[6]C[6,6])(CH3){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6a]N[6,6]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	104.6755	0.985	4	104.6755	0.971	4	104.6755	0.971	4	106.7632	22.521	5	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:4:2:4:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(O[6]C[6])(CH3)	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(O[6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	115.1140	0.000	1	115.1140	0.000	1	115.1140	0.000	1	106.7632	22.521	5	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH)	C[5,6a](C[5,6]C[5,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(O[6]C[6]){1|Br<1>,3|C<3>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	107.8210	0.000	1	107.8210	0.000	1	107.8210	0.000	1	105.7180	1.816	5	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:4:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){2|H<1>,3|C<3>,3|C<4>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	105.7180	0.000	1	105.7180	0.000	1	105.1923	0.578	4	105.7180	1.816	5	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:4:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	105.5020	0.000	1	105.4940	0.000	2	105.1923	0.578	4	105.7180	1.816	5	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:4:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	105.4860	0.000	1	105.4940	0.000	2	105.1923	0.578	4	105.7180	1.816	5	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	3:4:3:2:	4:4:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[5]N[5]O)(O[6]C[6]){1|C<4>,5|C<3>,5|H<1>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	104.0630	0.000	1	104.0630	0.000	1	105.1923	0.578	4	105.7180	1.816	5	108.9420	13.688	32	109.0032	16.503	38
474	622	727	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6a]	6:3:3:2:	4:4:	4:3:3:	C[3x3,3x5,12x6]-6:C[5,6a]-3:N[5,6]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(O[6]C[6])	O[6](C[5,6]C[3x3,3x5,12x6]C[5,6a]N[5,6])(C[6]C[6]HH)	C[5,6a](C[5,6]C[3x3,3x5,12x6]N[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,5|B<6>,9|H<1>}	O[6](C[5,6]C[3x3,3x5,12x6]C[5,6a]N[5,6])(C[6]C[6]HH){1|Co<10>,1|C<4>,1|C<6>,2|H<1>,3|B<6>,3|C<3>}	C[5,6a](C[5,6]C[3x3,3x5,12x6]N[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Co<10>,1|C<3>,1|C<6>,1|O<1>,2|C<4>,2|H<1>,3|B<6>}	114.2540	0.000	1	114.2540	0.000	1	114.2540	0.000	1	114.2540	0.000	1	108.9420	13.688	32	109.0032	16.503	38
474	622	727	6:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6,6a]	3:3:2:1:	4:4:	3:3:4:	C[5,6,6a]-3:C[5,6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6,6a]-3:C[5,6a,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6,6a])(O[6]C[6,6])(H)	O[6](C[5,6]C[5,6,6a]C[5,6a]H)(C[6,6]C[3x6]C[6a]N[6])	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]O[6]H)	C[5,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6,6a])(O[6]C[6,6])(H){1|C<4>,1|N<3>,1|S<2>,5|C<3>}	O[6](C[5,6]C[5,6,6a]C[5,6a]H)(C[6,6]C[3x6]C[6a]N[6]){1|C<4>,1|H<1>,8|C<3>}	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]O[6]H){1|C<4>,7|C<3>}	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1
474	622	762	0:SP3_SP2_SP2	C[5,6,6]	O[6]	C[6]	4:3:2:3:	4:3:	4:3:4:	C[5,6,6]-4:C[5,6a]-3:O[6]-2:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C)	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[6]H)(CH3)	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[6]H)(CH3){2|H<1>,2|O<2>,4|C<3>}	105.7980	0.000	1	105.7980	0.000	1	105.7980	0.000	1	105.7980	0.000	1	105.7980	0.000	1	105.7980	0.000	1
474	622	762	0:SP3_SP2_SP3	C[5,3x6]	O[6,6]	C[6]	4:4:2:3:	4:4:	4:3:1:	C[5,3x6]-4:C[5,6]-4:O[6,6]-2:C[6]-3:	C[5,3x6]-4:C[3x6]-4:	C[5,3x6]-4:C[6]-3:O-1:	C[5,3x6](C[5,3x6]C[6,6]2O[5])(C[5,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O)	O[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)	C[6](C[5,3x6]C[5,3x6]C[5,6]O[6,6])(C[6]C[6]C)(O)	C[5,3x6](C[5,3x6]C[6,6]2O[5])(C[5,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,7|C<4>}	O[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,3x6]C[5,3x6]C[5,6]O[6,6])(C[6]C[6]C)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	107.1992	13.060	6
474	622	762	0:SP3_SP2_SP3	C[5,6,6]	O[6]	C[6,6]	4:3:4:2:	4:4:	4:4:3:	C[5,6,6]-4:C[6,6]-3:C[5]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:C[4x6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(O[6]C[6])	O[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]O[6]CC)	C[6,6](C[5,6,6]C[5,6,6]C[5]O[6])(C[4x6]C[4x6]O[6,6]C[6])(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(O[6]C[6]){2|O<2>,7|C<4>,7|H<1>}	O[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]O[6]CC){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]O[6])(C[4x6]C[4x6]O[6,6]C[6])(C[6]C[6]H){1|O<2>,5|H<1>,9|C<4>}	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	107.1992	13.060	6
474	622	762	0:SP3_SP2_SP3	C[5,6,6]	O[6]	C[6]	4:3:2:2:	4:4:	4:3:1:	C[5,6,6]-4:C[6]-3:O[5]-2:O[6]-2:	C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,6,6](C[5,6,6]C[5,6a]C[6]O[6])(C[6]C[6,6a]O)(O[5]C[5,6a])(O[6]C[6])	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,6,6]C[5,6a]C[6]O[6])(C[6]C[6,6a]O)(O[5]C[5,6a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	105.8050	0.000	1	105.8050	0.000	1	105.8050	0.000	1	105.8050	0.000	1	105.7425	12.529	4	107.1992	13.060	6
474	622	762	0:SP3_SP2_SP3	C[5,6,6]	O[6]	C[6]	4:3:3:2:	4:4:	4:3:1:	C[5,6,6]-4:C[6]-3:N[5]-3:O[6]-2:	C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:N[6]-3:O-1:	C[5,6,6](C[5,6,6]N[5]N[6]O[6])(C[6]N[6]O)(N[5]C[5]H)(O[6]C[6])	O[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]N[5]O[6])(N[6]C[6]C)(O)	C[5,6,6](C[5,6,6]N[5]N[6]O[6])(C[6]N[6]O)(N[5]C[5]H)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>,3|N<3>}	C[6](C[5,6,6]C[5,6,6]N[5]O[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	103.2320	0.625	2	103.2320	0.391	2	103.2320	0.391	2	103.2320	0.391	2	105.7425	12.529	4	107.1992	13.060	6
474	622	762	0:SP3_SP2_SP3	C[5,6,6]	O[6]	C[6]	4:4:3:2:	4:4:	4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-3:O[6]-2:	C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)(O[6]C[6])	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)(O[6]C[6]){3|C<3>,9|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<4>}	110.7010	0.000	1	110.7010	0.000	1	110.7010	0.000	1	110.7010	0.000	1	105.7425	12.529	4	107.1992	13.060	6
474	622	762	6:SP3_SP2_SP2	C[5,4x6]	O[6]	C[3x6]	4:4:3:2:	4:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,4x6]-4:C[6,6a]-3:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	115.3900	0.000	1	115.4790	0.016	2	115.4790	0.016	2	115.4790	0.016	2	115.4790	0.016	2	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,4x6]	O[6]	C[3x6]	4:4:3:2:	4:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,4x6]-4:C[6,6a]-3:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	115.5680	0.000	1	115.4790	0.016	2	115.4790	0.016	2	115.4790	0.016	2	115.4790	0.016	2	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6,6]	O[6]	C[6,6]	4:3:4:2:	4:3:	4:3:3:	C[5,6]-4:C[6,6]-3:C[5]-4:O[6]-2:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6])	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]C)(C[6]C[6]O)	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5]C[6]){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]C)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	110.5060	0.000	1	110.5060	0.000	1	110.5060	0.000	1	110.5060	0.000	1	110.5060	0.000	1	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	3:2:2:3:	3:4:	4:2:4:	N[5]-3:O[6]-2:S[5]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:N[6]-2:C-4:	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]S[5])	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3)	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C){4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]S[5]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3){1|C<4>,4|C<3>}	109.7730	0.000	1	109.7730	0.000	1	109.6470	0.032	2	109.6470	0.032	2	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	3:2:2:3:	3:4:	4:2:4:	N[5]-3:O[6]-2:S[5]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:N[6]-2:C-4:	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[6]N[5]S[5])	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3)	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C){4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[6]N[5]S[5]){1|N<2>,2|C<4>,5|C<3>}	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3){1|C<4>,4|C<3>}	109.5210	0.000	1	109.5210	0.000	1	109.6470	0.032	2	109.6470	0.032	2	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	3:2:3:2:	4:3:	4:3:1:	C[5,6a]-3:O[6]-2:C[6]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]H)(H){1|C<4>,4|C<3>}	111.7743	0.590	3	111.7743	0.348	3	111.7743	0.348	3	111.7743	0.348	3	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[5,6a]-3:C[5,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6])	C[6](C[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6]){2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	109.3590	0.000	1	109.3590	0.000	1	110.5420	2.799	2	110.5420	2.799	2	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[5,6a]-3:C[5,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6])	C[6](C[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6]){1|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	111.7250	0.000	1	111.7250	0.000	1	110.5420	2.799	2	110.5420	2.799	2	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	3:4:2:3:	3:4:	4:3:1:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H){2|C<4>,5|C<3>}	111.3925	0.521	2	111.3925	0.272	2	111.3925	0.272	2	111.3925	0.272	2	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	3:4:2:3:	3:4:	4:3:4:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(CH3)	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]C){1|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<3>,3|C<4>,6|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(CH3){2|C<4>,5|C<3>}	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	4:3:2:3:	3:4:	4:2:1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:N[6]-2:H-1:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,3|C<4>,5|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H){3|C<4>,4|C<3>}	108.8400	0.000	1	110.0000	0.575	8	110.0150	0.505	9	110.0150	0.505	9	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	4:3:2:3:	3:4:	4:2:1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:N[6]-2:H-1:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H){3|C<4>,4|C<3>}	110.1657	0.644	7	110.0000	0.575	8	110.0150	0.505	9	110.0150	0.505	9	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	4:3:2:3:	3:4:	4:2:1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:N[6]-2:H-1:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5])	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,3|C<4>,5|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H){3|C<4>,4|C<3>}	110.1350	0.000	1	110.1350	0.000	1	110.0150	0.505	9	110.0150	0.505	9	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	4:3:2:3:	3:4:	4:2:2:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:N[6]-2:O-2:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(OC)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O){4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(OC){3|C<4>,4|C<3>}	107.3165	0.365	4	107.3165	0.133	4	107.3165	0.133	4	107.3165	0.133	4	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	4:3:2:3:	3:4:	4:2:4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:N[6]-2:C-4:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]C)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5])	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]C){4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,4|C<4>,5|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(CH3){3|C<4>,4|C<3>}	107.9270	0.000	1	107.9270	0.000	1	107.9270	0.000	1	107.9270	0.000	1	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	4:3:2:3:	3:4:	4:3:1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5,6]CC)(N[5]C[5,6]C)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5]C[5,6]CC)(N[5]C[5,6]C)(O[6]C[6,6a])(C[6]C[6]H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<3>,5|C<4>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H){2|C<3>,5|C<4>}	112.8715	0.155	2	112.8715	0.024	2	111.2664	0.704	33	111.2664	0.704	33	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	4:3:2:3:	3:4:	4:3:1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|Br<1>,1|H<1>,3|C<4>,5|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H){3|C<4>,4|C<3>}	110.8115	0.103	2	111.1628	0.568	31	111.2664	0.704	33	111.2664	0.704	33	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	4:3:2:3:	3:4:	4:3:1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H){3|C<4>,4|C<3>}	112.0180	0.000	1	111.1628	0.568	31	111.2664	0.704	33	111.2664	0.704	33	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	4:3:2:3:	3:4:	4:3:1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H){3|C<4>,4|C<3>}	111.1574	0.771	28	111.1628	0.568	31	111.2664	0.704	33	111.2664	0.704	33	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	4:3:2:3:	4:3:	4:3:1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6]-4:C[6,6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H)	O[6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6]H)(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H){1|H<1>,4|C<3>}	O[6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6]){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6]H)(H){1|N<3>,3|C<3>,3|C<4>}	109.0445	0.501	4	109.0445	0.251	4	109.0445	0.251	4	109.0445	0.251	4	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	4:4:2:3:	4:3:	4:3:3:	C[5,5]-4:C[5]-4:O[6]-2:C[6]-3:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C)	O[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])	C[6](C[5,6]C[5,5]C[5]O[6])(C[6]C[6,6a]H)(COO)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5]C[5]O[6])(C[6]C[6,6a]H)(COO){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP2	C[5,6]	O[6]	C[6]	4:4:3:2:	4:3:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O[6])(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6]){1|O<1>,3|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O[6])(O[6]C[6])(O){1|C<3>,3|H<1>,5|C<4>}	112.3340	0.000	1	112.3340	0.000	1	112.3340	0.000	1	112.3340	0.000	1	110.5643	1.986	63	110.7124	2.615	66
474	622	762	6:SP3_SP2_SP3	C[5,3x6]	O[6,6]	C[6,6]	4:3:2:4:	4:2:	4:3:1:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:C[5]-4:	C[5,3x6]-4:O[6,6]-2:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH)	O[6,6](C[5,3x6]C[5,3x6]C[6,6]C[5])(O[6,6]C[3x6])	C[6,6](C[5,3x6]C[5,3x6]O[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O[6,6](C[5,3x6]C[5,3x6]C[6,6]C[5])(O[6,6]C[3x6]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5,3x6]C[5,3x6]O[6,6]C[5])(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	107.4835	0.386	6	107.4835	0.149	6	107.4835	0.149	6	107.4835	0.149	6	107.4835	0.149	6	109.2186	5.449	21
474	622	762	6:SP3_SP2_SP3	C[5,4x6]	O[6]	C[3x6]	4:4:3:2:	4:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,4x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6])	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6]O)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6]){2|O<1>,4|C<4>,5|H<1>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	112.6320	0.000	1	112.6320	0.000	1	111.7155	1.680	2	111.7155	1.680	2	111.7155	1.680	2	109.2186	5.449	21
474	622	762	6:SP3_SP2_SP3	C[5,4x6]	O[6]	C[3x6]	4:4:3:2:	4:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,4x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6])	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]O[6]CC)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]O[6]O)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6]){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]O[6]CC){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	110.7990	0.000	1	110.7990	0.000	1	111.7155	1.680	2	111.7155	1.680	2	111.7155	1.680	2	109.2186	5.449	21
474	622	762	6:SP3_SP2_SP3	C[5,6,6]	O[6,6]	C[6]	3:2:4:3:	4:4:	4:3:1:	N[5,6]-3:O[6,6]-2:C[5]-4:C[6]-3:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](N[5,6]C[6,6a]C[5])(O[6,6]C[3x6])(C[5]C[5]HH)(C[6]C[6]H)	O[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[3x6]C[6,6,6a]C[6]2)	C[6](C[5,6,6]N[5,6]O[6,6]C[5])(C[6]C[6]H)(H)	C[5,6,6](N[5,6]C[6,6a]C[5])(O[6,6]C[3x6])(C[5]C[5]HH)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	O[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[3x6]C[6,6,6a]C[6]2){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6,6]N[5,6]O[6,6]C[5])(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	109.6870	0.000	1	109.6870	0.000	1	109.6870	0.000	1	109.6870	0.000	1	109.6870	0.000	1	109.2186	5.449	21
474	622	762	6:SP3_SP2_SP3	C[5,6]	O[6]	C[6,6]	3:4:2:2:	4:3:	4:3:3:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5,6]-4:N[5,6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	O[6](C[5,6]C[6,6]C[5]O[5])(N[5,6]C[5,6a]C[5,6])	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	O[6](C[5,6]C[6,6]C[5]O[5])(N[5,6]C[5,6a]C[5,6]){1|O<1>,1|S<2>,3|C<4>,4|C<3>}	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<4>}	110.2030	0.000	1	108.5595	5.402	2	108.5595	5.402	2	108.5595	5.402	2	108.5595	5.402	2	109.2186	5.449	21
474	622	762	6:SP3_SP2_SP3	C[5,6]	O[6]	C[6,6]	3:4:2:2:	4:3:	4:3:3:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5,6]-4:N[5,6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	O[6](C[5,6]C[6,6]C[5]O[5])(N[5,6]C[5,6a]C[5,6])	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	O[6](C[5,6]C[6,6]C[5]O[5])(N[5,6]C[5,6a]C[5,6]){1|O<2>,1|S<2>,3|C<4>,4|C<3>}	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>}	106.9160	0.000	1	108.5595	5.402	2	108.5595	5.402	2	108.5595	5.402	2	108.5595	5.402	2	109.2186	5.449	21
474	622	762	6:SP3_SP2_SP3	C[5,6]	O[6]	C[6]	3:3:2:2:	4:4:	4:3:3:	C[5,6a]-3:C[6]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6]){4|C<3>,5|H<1>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH){1|H<1>,2|C<4>,4|C<3>}	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	109.8452	7.290	10	109.2186	5.449	21
474	622	762	6:SP3_SP2_SP3	C[5,6]	O[6]	C[6]	3:3:4:2:	4:4:	4:3:2:	N[5]-3:C[6]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:N[5,6]-3:N-2:	C[5,6](N[5]C[6a]C[5])(C[6]N[5,6]N)(C[5]C[5]HH)(O[6]C[6])	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)	C[6](C[5,6]C[5]N[5]O[6])(N[5,6]C[5,6]C[5])(NC[6a])	C[5,6](N[5]C[6a]C[5])(C[6]N[5,6]N)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(N[5,6]C[5,6]C[5])(NC[6a]){2|C<3>,4|C<4>,5|H<1>}	114.9120	0.000	1	114.9120	0.000	1	114.9120	0.000	1	114.9120	0.000	1	109.8452	7.290	10	109.2186	5.449	21
474	622	762	6:SP3_SP2_SP3	C[5,6]	O[6]	C[6]	3:4:2:2:	4:4:	4:4:1:	C[6]-3:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]O)(C[5]N[5]HH)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[6]C[5,6]O)(C[5]N[5]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	106.1020	0.000	1	106.1020	0.000	1	107.0293	2.317	3	107.0293	2.317	3	109.8452	7.290	10	109.2186	5.449	21
474	622	762	6:SP3_SP2_SP3	C[5,6]	O[6]	C[6]	3:4:2:2:	4:4:	4:4:1:	C[6]-3:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O){2|O<2>,3|C<4>,3|H<1>}	107.4930	1.829	2	107.4930	3.344	2	107.0293	2.317	3	107.0293	2.317	3	109.8452	7.290	10	109.2186	5.449	21
474	622	762	6:SP3_SP2_SP3	C[5,6]	O[6]	C[6]	4:2:3:2:	4:4:	4:3:1:	C[5]-4:O[6]-2:C[6]-3:O[5]-2:	C[5,6]-4:C[4,6]-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5])	O[6](C[5,6]C[5]C[6]O[5])(C[4,6]C[4]2C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[4,6]C[4]2C[6]){1|C<3>,1|N<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,3|C<4>}	111.1050	0.686	2	111.1050	0.470	2	111.1050	0.470	2	111.1050	0.470	2	109.8452	7.290	10	109.2186	5.449	21
474	622	762	6:SP3_SP2_SP3	C[5,6]	O[6]	C[6]	4:2:3:2:	4:4:	4:4:1:	C[5]-4:O[5]-2:C[6]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5]C[5,5]CH)(O[5]C[5,5])(C[6]C[6]O)(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O)	C[5,6](C[5]C[5,5]CH)(O[5]C[5,5])(C[6]C[6]O)(O[6]C[6]){3|C<4>,6|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|O<1>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O){2|H<1>,5|C<4>}	110.5350	1.646	2	110.5350	2.710	2	110.5350	2.710	2	110.5350	2.710	2	109.8452	7.290	10	109.2186	5.449	21
474	622	762	6:SP3_SP2_SP3	C[5,6]	O[6]	C[6]	4:3:2:2:	4:4:	4:4:1:	C[5]-4:C[6]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5]C[5]HS)(C[6]C[6]O)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O)	C[5,6](C[5]C[5]HS)(C[6]C[6]O)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){1|O<1>,1|S<4>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O){1|S<4>,3|C<4>,3|H<1>}	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	109.8452	7.290	10	109.2186	5.449	21