474	466	830	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	F	4:4:4:1:	4:3:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:F-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(F)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]F)(C[6]C[6]H)(H)2	F(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(F){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]F)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	F(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	107.3960	1.906	3
474	466	830	0:SP3_SP-NON_SP3	C[5,6]	C[6]	F	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:F-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(F)	C[6](C[5,6]C[5,5,6]C[5,6a]F)(C[6]C[6]N[5]H)(H)2	F(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(F){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]F)(C[6]C[6]N[5]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	F(C[5,6]C[5,5,6]C[5,6a]C[6])	108.7270	0.000	1	108.7270	0.000	1	108.7270	0.000	1	108.7270	0.000	1	108.7270	0.000	1	107.3960	1.906	3
474	466	830	0:SP3_SP-NON_SP3	C[5]	C[6]	F	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[6]-4:C[5]-3:F-1:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H)	F(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(F){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	F(C[5]C[5,6a]C[5]C[6])	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	107.3960	1.906	3
474	466	854	6:SP3_SP3_SP3	C[5,6]	C[6]	N[6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]N[6,6]C[5]2)(C[6]C[6]HH)(H)2	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,9|H<1>}	C[6](C[5,6]N[6,6]C[5]2)(C[6]C[6]HH)(H)2{5|C<4>,6|H<1>}	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,9|H<1>}	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1
474	466	856	0:SP3_SP3_SP3	C[5,6,6]	C[6]	N[6]	3:4:4:3:	4:4:1:1:	4:3:2:	C[5,6,6a]-3:C[5,6]-4:C[6]-4:N[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-2:	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O)	C[6](C[5,6,6]C[5,6,6a]C[5,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC)	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6a]C[5,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1
474	466	856	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	N[6,6]	4:4:3:4:	4:3:1:1:	4:3:1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5,3x6]-4:N[3x6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2{1|C<3>,5|C<4>,6|H<1>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H){1|N<3>,4|C<4>,5|H<1>}	104.4120	0.000	2	104.4120	0.000	2	104.4120	0.000	2	104.4120	0.000	2	104.2347	0.094	3	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	N[6,6]	4:4:3:4:	4:3:1:1:	4:3:4:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5,3x6]-4:N[5,6,6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(H)2	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(H)2{1|C<3>,5|H<1>,6|C<4>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,4|C<4>,5|H<1>}	103.8800	0.000	1	103.8800	0.000	1	103.8800	0.000	1	103.8800	0.000	1	104.2347	0.094	3	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	N[6]	3:4:3:3:	4:4:4:4:	4:4:3:	N[5,6]-3:C[6,6]-4:C[5]-3:N[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C-3:	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C)	C[6,6](C[5,6,6]N[5,6]C[5]N[6])(C[6]C[6]HH)2(CCHH)	N[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(CCO)	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]N[6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(CCO){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	111.2820	0.000	2	111.2820	0.000	2	111.2820	0.000	2	111.2820	0.000	2	110.1437	3.887	3	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	N[6]	4:4:4:3:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H)	N[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]N[6]O)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H){2|C<3>,2|N<3>,2|O<1>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	N[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]N[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	107.8670	0.000	1	107.8670	0.000	1	107.8670	0.000	1	107.8670	0.000	1	110.1437	3.887	3	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:3:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[5a]H)(H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[5a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	108.9710	0.000	1	108.9710	0.000	1	109.4655	0.489	2	109.4655	0.489	2	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:3:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[6a]C)(H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	109.9600	0.000	1	109.9600	0.000	1	109.4655	0.489	2	109.4655	0.489	2	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:3:4:3:	4:4:3:1:	4:3:2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	110.7460	0.106	2	108.5490	14.486	3	108.5490	14.486	3	108.5490	14.486	3	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:3:4:3:	4:4:3:1:	4:3:2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	104.1550	0.000	1	108.5490	14.486	3	108.5490	14.486	3	108.5490	14.486	3	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:3:4:3:	4:4:3:3:	4:3:2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]HH)(COO)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	107.0050	0.000	1	107.7555	1.127	2	107.7555	1.127	2	107.7555	1.127	2	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:3:4:3:	4:4:3:3:	4:3:2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]HH)(COO)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]HH)(COO)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	108.5060	0.000	1	107.7555	1.127	2	107.7555	1.127	2	107.7555	1.127	2	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:4:3:3:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]C[5a,6]N[5a])(H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]C[5a,6]N[5a])(H)2{1|N<3>,1|O<1>,7|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	112.4320	0.000	1	112.4320	0.000	1	112.4320	0.000	1	112.4320	0.000	1	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:4:3:3:	4:3:1:1:	4:4:3:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<1>,2|N<3>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:4:3:3:	4:3:4:2:	4:3:4:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|F<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	110.9420	0.000	1	110.5915	0.246	2	110.5915	0.246	2	110.5915	0.246	2	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:4:3:3:	4:3:4:2:	4:3:4:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	110.2410	0.000	1	110.5915	0.246	2	110.5915	0.246	2	110.5915	0.246	2	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:4:3:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[5]O[6])(H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[5]O[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	107.8235	0.166	2	107.8235	0.028	2	107.8235	0.028	2	107.8235	0.028	2	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:4:3:3:	4:4:1:1:	4:3:3:	N[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	109.2020	0.120	2	109.2020	0.014	2	109.2020	0.014	2	109.2020	0.014	2	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:4:4:2:	4:3:1:1:	4:4:3:	N[6]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(C[6]N[6]O)(H)2	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O)	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	4:4:2:3:	4:4:1:1:	4:4:3:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCO)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCO){4|H<1>,5|C<4>}	108.2720	0.000	1	108.2720	0.000	1	108.2007	0.016	3	108.2007	0.016	3	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	4:4:2:3:	4:4:1:1:	4:4:3:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(COO)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(COO){4|C<4>,5|H<1>}	108.1650	0.158	2	108.1650	0.025	2	108.2007	0.016	3	108.2007	0.016	3	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	4:4:3:2:	4:3:2:1:	4:3:4:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.2290	0.539	2	110.2290	0.290	2	110.2578	0.216	8	110.2578	0.216	8	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	4:4:3:2:	4:3:2:1:	4:3:4:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.2673	0.494	6	110.2673	0.244	6	110.2578	0.216	8	110.2578	0.216	8	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	4:4:3:3:	3:4:1:1:	4:4:3:	C[6]-4:C[5]-4:C[5]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)2	N[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CCO)	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	4:4:4:3:	4:4:2:1:	4:4:3:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5]C[5]HH)2(C[6]C[6]HO)(N[6]C[6]C)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCO)	C[5,6](C[5]C[5]HH)2(C[6]C[6]HO)(N[6]C[6]C){1|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCO){2|O<2>,3|C<4>,6|H<1>}	108.5360	0.000	1	108.5360	0.000	1	108.5360	0.000	1	108.5360	0.000	1	109.3473	2.445	29	108.9773	4.469	35
474	466	856	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	N[6,6]	3:4:3:3:	4:4:4:4:	4:4:3:	N[5,6,6]-3:C[6,6]-4:C[5]-3:N[6,6]-3:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[6]-4:C[6]-3:	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2)	C[6,6](C[5,3x6]N[5,6,6]N[6,6]C[5])(C[6]C[6]HH)2(CCHH)	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O)	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,3x6]N[5,6,6]N[6,6]C[5])(C[6]C[6]HH)2(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	109.6546	9.591	16
474	466	856	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	N[6,6]	3:4:2:2:	4:3:2:3:	4:3:4:	N[6,6]-3:C[6,6]-4:O[5,6]-2:O[5]-2:	C[5,6,6]-4:C[6]-3:O[6]-2:C-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5])	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH)	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH)	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH){1|C<3>,2|H<1>,3|C<4>}	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	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	109.6546	9.591	16
474	466	856	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	N[6]	3:3:4:2:	4:4:4:4:	4:3:3:	N[5,6]-3:N[6]-3:C[6,6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6a]-3:C[6]-3:	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])	C[6,6](C[5,6,6]N[5,6]N[6]O[5])(C[6]C[6]HH)2(CCHH)	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	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>}	C[6,6](C[5,6,6]N[5,6]N[6]O[5])(C[6]C[6]HH)2(CCHH){2|C<4>,3|C<3>,4|H<1>}	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<3>,5|C<4>}	113.1030	0.000	1	113.1030	0.000	1	113.1030	0.000	1	113.1030	0.000	1	112.5680	0.572	2	109.6546	9.591	16
474	466	856	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	N[6]	4:4:4:3:	4:4:4:1:	4:4:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H)	C[6,6](C[5,6,6]C[5,5,6]C[5]N[6])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)	N[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5]N[6])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	N[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	112.0330	0.000	1	112.0330	0.000	1	112.0330	0.000	1	112.0330	0.000	1	112.5680	0.572	2	109.6546	9.591	16
474	466	856	6:SP3_SP3_SP3	C[5,6,6]	C[6]	N[6,6]	4:3:4:2:	4:4:4:1:	4:4:1:	C[5,6]-4:N[6,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6]2H)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5]){1|O<2>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(C[6]C[6]HH)(CHHO)(H){4|C<4>,4|H<1>}	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6]2H)(H){5|C<4>,6|H<1>}	109.3707	2.256	3	109.3707	5.091	3	109.3707	5.091	3	109.3707	5.091	3	108.0770	10.088	4	109.6546	9.591	16
474	466	856	6:SP3_SP3_SP3	C[5,6,6]	C[6]	N[6,6]	4:3:4:4:	4:4:1:1:	4:4:2:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]N[6,6]C[5])(C[6]C[6]HH)(H)2	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,9|H<1>}	C[6](C[5,6,6]C[5,6]N[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH){4|C<4>,7|H<1>}	104.1960	0.000	1	104.1960	0.000	1	104.1960	0.000	1	104.1960	0.000	1	108.0770	10.088	4	109.6546	9.591	16
474	466	856	6:SP3_SP3_SP3	C[5,6]	C[6]	N[6]	3:3:4:3:	4:4:3:1:	4:3:2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	103.6750	0.000	1	103.6750	0.000	1	103.6750	0.000	1	103.6750	0.000	1	109.7241	12.069	8	109.6546	9.591	16
474	466	856	6:SP3_SP3_SP3	C[5,6]	C[6]	N[6]	3:3:4:3:	4:4:3:3:	4:3:2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]HH)(COO)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]HH)(COO)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	109.7241	12.069	8	109.6546	9.591	16
474	466	856	6:SP3_SP3_SP3	C[5,6]	C[6]	N[6]	3:4:4:4:	4:2:3:1:	3:4:1:	N[6]-3:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:S[6]-2:C-3:H-1:	N[5a,6]-3:C[5,6]-4:H-1:	C[5,6](N[6]N[5a,6]H)(C[5]C[5]HH)2(C[6]S[6]CH)	C[6](C[5,6]C[5]2N[6])(S[6]C[5a,6])(CC[6a]O)(H)	N[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5]2C[6])(H)	C[5,6](N[6]N[5a,6]H)(C[5]C[5]HH)2(C[6]S[6]CH){1|C<3>,1|N<2>,4|H<1>}	C[6](C[5,6]C[5]2N[6])(S[6]C[5a,6])(CC[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5]2C[6])(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	113.7460	0.000	1	113.7460	0.000	1	113.7460	0.000	1	113.7460	0.000	1	109.7241	12.069	8	109.6546	9.591	16
474	466	856	6:SP3_SP3_SP3	C[5,6]	C[6]	N[6]	4:3:2:2:	4:4:2:4:	4:4:4:	C[6]-4:N[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:S-2:C-4:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[6]C[6]CS)(N[6]C[6]C)(O[5]C[5])2	C[6](C[5,6]N[6]O[5]2)(C[6]C[6]HH)(SC[6a])(CCHH)	N[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)	C[5,6](C[6]C[6]CS)(N[6]C[6]C)(O[5]C[5])2{1|C<4>,8|H<1>}	C[6](C[5,6]N[6]O[5]2)(C[6]C[6]HH)(SC[6a])(CCHH){2|H<1>,4|C<4>}	N[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH){1|S<2>,2|H<1>,4|C<4>}	112.9020	0.000	1	112.9020	0.000	1	112.9020	0.000	1	112.9020	0.000	1	109.7241	12.069	8	109.6546	9.591	16
474	466	856	6:SP3_SP3_SP3	C[5,6]	C[6]	N[6]	4:4:2:3:	4:4:1:1:	4:4:1:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H)	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	109.7241	12.069	8	109.6546	9.591	16
474	466	856	6:SP3_SP3_SP3	C[5,6]	C[6]	N[6]	4:4:3:3:	4:3:3:1:	4:4:1:	C[5]-4:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H)	N[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	112.9150	0.000	1	112.9150	0.000	1	112.9150	0.000	1	112.9150	0.000	1	109.7241	12.069	8	109.6546	9.591	16
474	466	856	6:SP3_SP3_SP3	C[5,6]	C[6]	N[6]	4:4:4:3:	4:4:1:1:	4:4:2:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){4|C<4>,7|H<1>}	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	109.7241	12.069	8	109.6546	9.591	16
474	466	856	6:SP3_SP3_SP3	C[5,6]	C[6]	N[6]	4:4:4:3:	4:4:1:1:	4:4:4:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]S)	C[6](C[5,6]C[5]2N[6])(C[6]C[6a]C[6]H)(H)2	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(SO3)	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]S){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6a]C[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,6|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(SO3){3|C<4>,8|H<1>}	107.2010	0.000	1	107.2010	0.000	1	107.2010	0.000	1	107.2010	0.000	1	109.7241	12.069	8	109.6546	9.591	16
474	466	863	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H)	O(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O){1|H<1>,1|O<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5])	113.2860	0.000	1	113.2860	0.000	1	113.2860	0.000	1	113.2860	0.000	1	113.2860	0.000	1	113.7640	0.457	2
474	466	863	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:O-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(O)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])	114.2420	0.000	1	114.2420	0.000	1	114.2420	0.000	1	114.2420	0.000	1	114.2420	0.000	1	113.7640	0.457	2
474	466	874	6:SP3_SP3_SP3	C[5,6]	C[6]	B[6]	3:4:4:3:	4:3:3:1:	4:3:3:3:	C[5,6a]-3:B[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:O[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[6]C[6a]C[6]H)(C[5]C[5]H)	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	B[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)2(O[6]C[6]Li)	C[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[6]C[6a]C[6]H)(C[5]C[5]H){1|Li<3>,1|C<4>,2|H<1>,9|C<3>}	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<3>,3|H<1>,8|C<3>}	B[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)2(O[6]C[6]Li){10|C<3>,1|F<2>,2|H<1>,3|F<1>}	108.5845	0.103	2	108.5845	0.011	2	108.5845	0.011	2	108.5845	0.011	2	108.5845	0.011	2	108.5845	0.011	2
474	466	880	0:SP3_SP3_SP3	C[5,6]	C[6,6]	Si	4:4:4:4:	4:3:4:1:	4:3:4:4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:Si-4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC)	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)	Si(C[5,6]C[5,6,6]C[6,6]C[5])(C[6a]C[6a]2)(CH3)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	Si(C[5,6]C[5,6,6]C[6,6]C[5])(C[6a]C[6a]2)(CH3)2	113.6240	0.000	1	113.6240	0.000	1	113.6240	0.000	1	113.6240	0.000	1	113.6240	0.000	1	112.5239	13.343	7
474	466	880	0:SP3_SP3_SP3	C[5,6]	C[6]	Si	3:4:3:4:	4:4:1:1:	4:4:4:4:	N[5,6]-3:C[6]-4:C[5]-3:Si-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]HH)(C[5]C[5]C)(SiC3)	C[6](C[5,6]N[5,6]C[5]Si)(C[6]C[6]HH)(H)2	Si(C[5,6]N[5,6]C[5]C[6])(CH3)3	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]HH)(C[5]C[5]C)(SiC3){1|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]Si)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	Si(C[5,6]N[5,6]C[5]C[6])(CH3)3	112.3405	3.966	6	112.3405	15.730	6	112.3405	15.730	6	112.3405	15.730	6	112.3405	15.730	6	112.5239	13.343	7
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	3:2:4:4:	4:4:1:1:	3:4:	N[5]-3:S[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](N[5]C[5,6a]H)(S[5]C[5,6a])(C[6]C[6]HH)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])	C[5,6](N[5]C[5,6a]H)(S[5]C[5,6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5]){2|C<3>,2|C<4>,6|H<1>}	110.1430	0.208	4	110.1430	0.043	4	110.1430	0.043	4	110.1430	0.043	4	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	3:4:3:2:	4:4:1:1:	4:3:	C[6]-3:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6]H)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6,6]HH)(H)2	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N)	C[5,6](C[6]C[6,6]H)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5]){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6,6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N){1|C<4>,2|C<3>,3|H<1>}	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	3:4:4:2:	4:4:4:1:	4:3:	C[6,6a]-3:C[5]-4:C[6]-4:S[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(S[5]C[5])	C[6](C[5,6]C[6,6a]C[5]S[5])(C[6]C[6]HH)(CF3)(H)	S[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]N)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(S[5]C[5]){1|C<4>,1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[6,6a]C[5]S[5])(C[6]C[6]HH)(CF3)(H){1|N<3>,3|C<3>,4|H<1>}	S[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]N){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:2:4:1:	4:3:1:1:	3:4:	P[5,6]-4:S[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](P[5,6]C[5,6a]C[6]S)(S[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]P[5,6]S[5]H)(C[6]C[6]C)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6]H)	C[5,6](P[5,6]C[5,6a]C[6]S)(S[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]P[5,6]S[5]H)(C[6]C[6]C)(H)2{1|S<1>,2|C<3>,2|C<4>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6]H){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:3:2:4:	4:3:4:1:	3:4:	C[6]-4:C[5]-3:S[5]-2:C[6]-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(C[6]C[6]CH)	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(C[6]C[6]CH){4|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:3:2:4:	4:4:3:1:	3:4:	C[6]-4:C[5]-3:S[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(C[6]C[6]CH)	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(C[6]C[6]CH){4|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:2:4:1:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:N[6]-2:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6])(CCHO)(H)	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6])(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	115.2155	0.355	4	115.2155	0.126	4	115.2155	0.126	4	115.2155	0.126	4	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(H)2	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){2|N<3>,3|H<1>}	112.8110	0.000	1	112.8110	0.000	1	112.8110	0.000	1	112.8110	0.000	1	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:3:3:1:	3:4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,5a]-3:C[5,6]-4:	C[5,6](C[5,6]N[5,5a]C[6a]O[6])(C[6]C[6a]C[6]H)(S[5]C[5,5a])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	S[5](C[5,5a]N[5,5a]N[5a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]N[5,5a]C[6a]O[6])(C[6]C[6a]C[6]H)(S[5]C[5,5a])(H){1|C<2>,1|N<2>,6|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	S[5](C[5,5a]N[5,5a]N[5a])(C[5,6]C[5,6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	113.7375	0.084	2	113.7375	0.007	2	113.7375	0.007	2	113.7375	0.007	2	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:3:4:1:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){1|C<4>,2|H<1>,2|N<3>}	115.0930	0.000	2	115.2170	0.017	8	113.9396	4.049	13	113.9396	4.049	13	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:3:4:1:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){1|C<4>,2|H<1>,2|N<3>}	115.2583	0.124	6	115.2170	0.017	8	113.9396	4.049	13	113.9396	4.049	13	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:3:4:1:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H)	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){1|C<4>,2|H<1>,2|N<3>}	111.8958	1.906	5	111.8958	3.633	5	113.9396	4.049	13	113.9396	4.049	13	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<4>,1|N<2>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){1|S<4>,2|C<4>,3|H<1>}	117.6730	0.000	1	117.6730	0.000	1	118.9693	4.091	3	118.9693	4.091	3	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]S)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<4>,1|S<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]S){1|S<4>,2|C<4>,3|H<1>}	117.9350	0.000	1	117.9350	0.000	1	118.9693	4.091	3	118.9693	4.091	3	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2	S[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]S)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]S){2|H<1>,3|C<4>}	121.3000	0.000	1	121.3000	0.000	1	118.9693	4.091	3	118.9693	4.091	3	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:2:4:	4:3:4:1:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:C-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6a]C[6]H)(S[5]C[5])(CH3)	C[6](C[5,6]C[5,6]S[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	S[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]S)	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6a]C[6]H)(S[5]C[5])(CH3){1|S<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]S[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	S[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	107.5710	0.000	1	107.5710	0.000	1	107.5710	0.000	1	107.5710	0.000	1	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:3:3:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]O)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]O)(S[5]C[5]){1|H<1>,1|O<1>,3|C<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	107.4770	0.095	2	107.4770	0.009	2	107.4770	0.009	2	107.4770	0.009	2	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]H)(CCHH)(H)	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]S){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	108.2930	0.000	1	108.2930	0.000	1	108.2930	0.000	1	112.0724	13.008	5	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]S){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	111.9600	0.000	1	110.3310	5.307	2	113.0173	11.392	4	112.0724	13.008	5	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5]){1|S<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]S){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	108.7020	0.000	1	110.3310	5.307	2	113.0173	11.392	4	112.0724	13.008	5	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]O)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]O)(S[5]C[5]){1|H<1>,1|O<1>,3|C<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,2|N<3>,3|H<1>,5|C<3>}	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	115.7035	0.076	2	115.7035	0.006	2	113.0173	11.392	4	112.0724	13.008	5	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5]){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N){1|C<3>,3|C<4>,3|H<1>}	108.0542	1.324	4	108.0542	1.754	4	108.8430	1.600	10	108.8430	1.600	10	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(N[5]N[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]CH)(H)2	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N)	C[5,6](C[6]C[6]HH)2(N[5]N[5]C)(S[5]C[5]){1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N){1|C<3>,2|C<4>,4|H<1>}	108.3530	0.679	2	108.3530	0.461	2	108.8430	1.600	10	108.8430	1.600	10	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(N[5]N[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N)	C[5,6](C[6]C[6]HH)2(N[5]N[5]C)(S[5]C[5]){1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N){1|C<3>,2|C<4>,4|H<1>}	110.0040	0.460	2	110.0040	0.211	2	108.8430	1.600	10	108.8430	1.600	10	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(N[5]N[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6a]S[6]H)(H)2	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N)	C[5,6](C[6]C[6]HH)2(N[5]N[5]C)(S[5]C[5]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6a]S[6]H)(H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N){1|C<3>,2|C<4>,4|H<1>}	109.7495	1.077	2	109.7495	1.160	2	108.8430	1.600	10	108.8430	1.600	10	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H)	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5]){1|S<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]S){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	114.4230	0.000	1	114.4230	0.000	1	114.4230	0.000	1	114.4230	0.000	1	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CC3)(H)	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5]){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N){1|C<3>,3|C<4>,3|H<1>}	109.4855	2.665	2	109.4855	7.103	2	109.3910	2.577	4	109.3910	2.577	4	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CH3)(H)	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5]){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N){1|C<3>,3|C<4>,3|H<1>}	109.2965	0.770	2	109.2965	0.593	2	109.3910	2.577	4	109.3910	2.577	4	111.9484	11.164	55	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5]	C[6]	S[5]	4:3:2:4:	4:4:4:1:	4:3:	C[6]-4:C[5]-3:S[5]-2:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(C[5]N[5]O)(S[5]C[5])(CH3)	C[6](C[5]C[5]S[5]C)(C[6]C[6]HH)2(H)	S[5](C[5]C[5]C[6]C)(C[5]N[5]S)	C[5](C[6]C[6]2H)(C[5]N[5]O)(S[5]C[5])(CH3){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	C[6](C[5]C[5]S[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	S[5](C[5]C[5]C[6]C)(C[5]N[5]S){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	112.8300	0.000	1	112.8300	0.000	1	112.8300	0.000	1	112.3065	0.548	2	112.3065	0.548	2	111.9609	10.780	57
474	466	891	0:SP3_SP2_SP3	C[5]	C[6]	S[5]	4:3:2:4:	4:4:4:1:	4:3:	C[6]-4:N[5]-3:S[5]-2:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(N[5]N[5]C)(S[5]C[5])(CH3)	C[6](C[5]N[5]S[5]C)(C[6]C[6]HH)2(H)	S[5](C[5]C[6]N[5]C)(C[5]N[5]N)	C[5](C[6]C[6]2H)(N[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5]N[5]S[5]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<3>,3|H<1>}	S[5](C[5]C[6]N[5]C)(C[5]N[5]N){1|C<3>,1|H<1>,2|C<4>}	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	112.3065	0.548	2	112.3065	0.548	2	111.9609	10.780	57
474	466	891	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	S[5]	3:4:2:2:	4:4:4:1:	4:4:	C[5,6,6]-3:C[3x6]-4:S[5]-2:S[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,5,3x6]N[5])(C[3x6]C[6,6]2H)(S[5]C[5])2	C[3x6](C[5,6,6]C[5,6,6]S[5]2)(C[6,6]C[5,6,6]HH)2(H)	S[5](C[5,6,6]C[5,6,6]C[3x6]S[5])(C[5]C[5]HH)	C[5,6,6](C[5,6,6]C[5,5,3x6]N[5])(C[3x6]C[6,6]2H)(S[5]C[5])2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[5,6,6]C[5,6,6]S[5]2)(C[6,6]C[5,6,6]HH)2(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,4|C<4>}	S[5](C[5,6,6]C[5,6,6]C[3x6]S[5])(C[5]C[5]HH){1|N<2>,3|C<4>,3|H<1>}	110.8710	2.359	2	110.8710	5.564	2	110.8710	5.564	2	110.8710	5.564	2	110.9885	4.831	14	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	S[5]	4:4:2:2:	4:4:3:2:	4:4:	C[3x6]-4:C[6,6]-4:S[5]-2:S[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(S[5]C[5])2	C[3x6](C[5,6,6]C[6,6]S[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	S[5](C[5,6,6]C[3x6]C[6,6]S[5])(C[5]C[5]HH)	C[5,6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(S[5]C[5])2{1|C<3>,1|C<4>,8|H<1>}	C[3x6](C[5,6,6]C[6,6]S[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){3|C<4>,5|H<1>}	S[5](C[5,6,6]C[3x6]C[6,6]S[5])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	112.2157	1.802	4	112.2157	3.247	4	112.2157	3.247	4	112.2157	3.247	4	110.9885	4.831	14	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	S[5]	4:4:2:2:	4:4:4:1:	4:2:	C[3x6]-4:C[3x6]-4:S[5]-2:S[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:S[5]-2:	C[5,6,6](C[3x6]C[6,6]2H)2(S[5]C[5,6,6])(S[5]S[5])	C[3x6](C[5,6,6]C[3x6]S[5]2)(C[6,6]C[3x6]HH)2(H)	S[5](C[5,6,6]C[3x6]2S[5])(S[5]C[5,6,6])	C[5,6,6](C[3x6]C[6,6]2H)2(S[5]C[5,6,6])(S[5]S[5]){4|C<4>,8|H<1>}	C[3x6](C[5,6,6]C[3x6]S[5]2)(C[6,6]C[3x6]HH)2(H){1|S<2>,3|H<1>,4|C<4>}	S[5](C[5,6,6]C[3x6]2S[5])(S[5]C[5,6,6]){2|H<1>,6|C<4>}	110.5577	3.376	4	110.5577	11.399	4	110.5577	11.399	4	110.5577	11.399	4	110.9885	4.831	14	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	S[5]	4:4:2:2:	4:4:4:1:	4:4:	C[3x6]-4:C[3x6]-4:S[5]-2:S[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]2H)2(S[5]C[5,6,6])(S[5]S[5])	C[3x6](C[5,6,6]C[3x6]S[5]2)(C[6,6]C[3x6]HH)2(H)	S[5](C[5,6,6]C[3x6]2S[5])2	C[5,6,6](C[3x6]C[6,6]2H)2(S[5]C[5,6,6])(S[5]S[5]){4|C<4>,8|H<1>}	C[3x6](C[5,6,6]C[3x6]S[5]2)(C[6,6]C[3x6]HH)2(H){1|S<2>,3|H<1>,4|C<4>}	S[5](C[5,6,6]C[3x6]2S[5])2{4|H<1>,8|C<4>}	110.2508	1.202	4	110.2508	1.444	4	110.2508	1.444	4	110.2508	1.444	4	110.9885	4.831	14	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	S[5]	4:4:2:2:	4:4:1:1:	4:4:	C[3x6]-4:C[6,6]-4:S[5]-2:S[5]-2:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(S[5]C[5])2	C[6,6](C[5,6,6]C[3x6]S[5]2)(C[3x6]C[6,6]2H)(H)2	S[5](C[5,6,6]C[3x6]C[6,6]S[5])(C[5]C[5]HH)	C[5,6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(S[5]C[5])2{1|C<3>,1|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[3x6]S[5]2)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	S[5](C[5,6,6]C[3x6]C[6,6]S[5])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	109.3743	1.355	4	109.3743	1.837	4	109.3743	1.837	4	109.3743	1.837	4	109.3743	1.837	4	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6,6]	C[6]	S[5,6]	4:2:4:2:	4:2:4:1:	4:4:	C[5,5,6]-4:S[5,6]-2:C[6]-4:O[6]-2:	C[5,6,6]-4:O[6]-2:C-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6])(C[6]O[6]CH)(O[6]C[6])	C[6](C[5,6,6]C[5,5,6]S[5,6]O[6])(O[6]C[6])(CH3)(H)	S[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6])(C[6]O[6]CH)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]S[5,6]O[6])(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	S[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,5]C[5,6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6,6]	S[5]	3:4:2:2:	4:4:4:1:	4:4:	C[5a,6]-3:C[6,6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2{3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.3065	2.747	2	109.3065	7.547	2	109.8830	5.345	6	109.8830	5.345	6	109.8831	4.454	7	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6,6]	S[5]	3:4:2:2:	4:4:4:1:	4:4:	C[5a,6]-3:C[6,6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2{1|C<4>,3|C<3>,9|H<1>}	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	110.7735	3.384	2	110.1713	6.060	4	109.8830	5.345	6	109.8830	5.345	6	109.8831	4.454	7	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6,6]	S[5]	3:4:2:2:	4:4:4:1:	4:4:	C[5a,6]-3:C[6,6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2{2|C<4>,3|C<3>,8|H<1>}	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.5690	2.298	2	110.1713	6.060	4	109.8830	5.345	6	109.8830	5.345	6	109.8831	4.454	7	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6,6]	S[5]	4:4:2:2:	4:4:2:2:	4:4:	C[6,6]-4:C[6]-4:N[5]-2:S[5]-2:	C[5,6]-4:C[6,6]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(N[5]C[5])(S[5]C[5])	C[6,6](C[5,6]C[6]N[5]S[5])(C[6,6]O[6]2H)(O[6]C[6,6])(OH)	S[5](C[5,6]C[6,6]C[6]N[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(N[5]C[5])(S[5]C[5]){2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6]C[6]N[5]S[5])(C[6,6]O[6]2H)(O[6]C[6,6])(OH){1|C<3>,3|H<1>,4|C<4>}	S[5](C[5,6]C[6,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,2|O<2>,3|H<1>}	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	109.8831	4.454	7	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:2:1:	4:2:1:1:	4:4:	S[5,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](S[5,6]C[5]C[6])(C[6]S[6]HH)(S[5]C[5])(H)	C[6](C[5,6]S[5,6]S[5]H)(S[6]C[6])(H)2	S[5](C[5,6]S[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](S[5,6]C[5]C[6])(C[6]S[6]HH)(S[5]C[5])(H){1|C<4>,6|H<1>}	C[6](C[5,6]S[5,6]S[5]H)(S[6]C[6])(H)2{2|H<1>,3|C<4>}	S[5](C[5,6]S[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|S<2>,4|H<1>}	117.0180	0.000	1	117.0180	0.000	1	117.0180	0.000	1	117.0180	0.000	1	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6,6]S[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	S[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(S[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]S[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	S[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|C<3>,2|H<1>,3|C<4>}	111.9690	0.000	1	111.9690	0.000	1	111.9690	0.000	1	114.0393	3.354	3	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(H)2	S[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	S[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<4>}	115.0745	0.528	2	115.0745	0.279	2	115.0745	0.279	2	114.0393	3.354	3	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:2:1:	4:4:2:1:	4:4:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	S[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]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	S[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.3210	0.000	1	115.4337	0.722	3	115.4337	0.722	3	115.4337	0.722	3	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:2:1:	4:4:2:1:	4:4:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	S[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]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	S[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	114.6460	0.000	1	115.4337	0.722	3	115.4337	0.722	3	115.4337	0.722	3	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:2:1:	4:4:2:1:	4:4:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	S[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]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	S[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	116.3340	0.000	1	115.4337	0.722	3	115.4337	0.722	3	115.4337	0.722	3	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:2:2:	4:3:1:1:	4:4:	C[5a,6]-3:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5]C[5])2	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]C)(H)2	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5]C[5])2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	109.1915	4.120	2	109.1915	16.977	2	109.1915	16.977	2	109.1915	16.977	2	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:2:2:	4:3:2:2:	4:3:	C[5,6]-3:C[6]-4:S[5]-2:O-2:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC)	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	S[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]N[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC){5|C<3>}	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	S[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]N[5]){2|O<2>,4|C<3>}	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:2:2:	4:4:1:1:	4:4:	C[5,6]-3:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(S[5]C[5])2	C[6](C[5,6]C[5,6]S[5]2)(C[6]C[6]HH)(H)2	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(S[5]C[5])2{3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]S[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>}	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	110.5940	1.681	2	110.5940	2.827	2	110.5940	2.827	2	109.9961	12.116	7	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:2:2:	4:4:1:1:	4:4:	C[5a,6]-3:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5]C[5])2	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]CH)(H)2	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5]C[5])2{2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	109.1100	8.034	2	109.1100	64.548	2	109.1100	64.548	2	109.9961	12.116	7	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:2:2:	4:4:1:1:	4:4:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){1|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	S[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	109.3630	0.000	1	110.1883	1.462	3	110.1883	1.462	3	109.9961	12.116	7	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:2:2:	4:4:1:1:	4:4:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){1|N<3>,2|C<4>,8|H<1>}	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	S[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	109.6260	0.000	1	110.1883	1.462	3	110.1883	1.462	3	109.9961	12.116	7	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:2:2:	4:4:1:1:	4:4:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){3|C<4>,8|H<1>}	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	S[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	111.5760	0.000	1	110.1883	1.462	3	110.1883	1.462	3	109.9961	12.116	7	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:2:2:	5:4:1:1:	4:4:	C[5a,6]-3:C[6]-4:S[5]-2:S[5]-2:	C[3,6]-5:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[3,6]HH)(S[5]C[5])2	C[6](C[3,6]C[3,6]H[3]HH)(C[5,6]C[5a,6]S[5]2)(H)2	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[3,6]HH)(S[5]C[5])2{1|H<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3,6]H[3]HH)(C[5,6]C[5a,6]S[5]2)(H)2{1|C<3>,2|C<4>,2|N<3>}	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,1|C<5>,1|N<3>,4|H<1>}	109.4425	3.540	2	109.4425	12.535	2	109.4425	12.535	2	109.4425	12.535	2	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:4:2:	4:4:1:1:	4:4:	N[5]-3:C[6]-4:C[6]-4:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(S[5]C[5]){1|C<4>,1|O<1>,2|N<2>,6|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	S[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	110.0010	1.351	2	110.0010	1.824	2	110.0010	1.824	2	110.0010	1.824	2	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:3:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5]){2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	109.8145	1.981	2	110.2047	2.418	3	110.2047	2.418	3	110.2047	2.418	3	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:3:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	110.9850	0.000	1	110.2047	2.418	3	110.2047	2.418	3	110.2047	2.418	3	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:3:2:2:	4:4:3:2:	4:4:	C[6]-4:C[6]-3:S[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:C-3:N-2:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CN)(C[6]C[6]C)(S[5]C[5])2	C[6](C[5,6]C[6]S[5]2)(C[6]C[6a]C[6]H)(COO)(NC)	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CN)(C[6]C[6]C)(S[5]C[5])2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[6]S[5]2)(C[6]C[6a]C[6]H)(COO)(NC){2|C<4>,2|H<1>,4|C<3>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	109.7935	5.881	2	109.7935	34.586	2	109.7935	34.586	2	109.7935	34.586	2	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]O[6]HH)(S[5]C[5,6])(H)	C[6](C[5,6]C[5,6]S[5]H)(O[6]C[6])(H)2	S[5](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]O[6]HH)(S[5]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	S[5](C[5,6]C[5,6]C[6]H)2{4|O<2>,6|H<1>}	114.5245	0.009	2	114.5245	0.000	2	114.5245	0.000	2	114.5245	0.000	2	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:4:1:1:	4:2:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:S[5]-2:	C[5,6](C[5,6]C[5,6]HN)(C[6]C[6]HH)(S[5]S[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	S[5](C[5,6]C[5,6]C[6]H)(S[5]C[5,6])	C[5,6](C[5,6]C[5,6]HN)(C[6]C[6]HH)(S[5]S[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,3|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(S[5]C[5,6]){1|N<3>,2|C<4>,4|H<1>}	112.6603	0.474	4	112.6603	0.225	4	112.6603	0.225	4	112.6603	0.225	4	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]O[6]HH)(H)2	S[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]O[6]HH)(H)2{1|H<1>,3|C<4>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){2|C<4>,5|H<1>}	116.4040	0.000	1	116.4040	0.000	1	112.8140	9.822	3	114.0268	7.671	5	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]S[6]HH)(H)2	S[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|S<2>,7|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]S[6]HH)(H)2{1|H<1>,3|C<4>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){2|C<4>,5|H<1>}	111.0190	0.559	2	111.0190	0.312	2	112.8140	9.822	3	114.0268	7.671	5	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:P[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2	S[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]S)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H){1|C<4>,1|S<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2{1|O<2>,1|P<4>,2|C<4>,2|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]S){2|C<3>,2|H<1>,3|C<4>}	115.7820	0.000	1	115.7820	0.000	1	115.8460	0.008	2	114.0268	7.671	5	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:P[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2	S[5](C[5,6]C[5,6]C[6]H)(P[5]O[5]SS)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H){1|C<3>,1|C<4>,1|S<1>,1|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2{1|O<2>,1|P<4>,2|C<4>,2|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(P[5]O[5]SS){2|H<1>,3|C<4>}	115.9100	0.000	1	115.9100	0.000	1	115.8460	0.008	2	114.0268	7.671	5	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:4:2:1:	4:2:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:S[5]-2:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(S[5]S[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H)	S[5](C[5,6]C[5,6]C[6]H)(S[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(S[5]S[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|S<2>,3|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(S[5]C[5,6]){1|O<2>,2|C<4>,4|H<1>}	111.7040	0.000	1	111.7040	0.000	1	111.7040	0.000	1	111.7040	0.000	1	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:1:	4:4:3:1:	4:2:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:S[5]-2:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(S[5]S[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H)	S[5](C[5,6]C[5,6]C[6]H)(S[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(S[5]S[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H){1|C<4>,1|O<2>,1|S<2>,3|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(S[5]C[5,6]){1|N<3>,2|C<4>,4|H<1>}	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:2:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(S[5]C[5])2	C[6](C[5,6]C[5,6]S[5]2)(C[6]O[6]O)(H)2	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(S[5]C[5])2{1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]S[5]2)(C[6]O[6]O)(H)2{1|H<1>,4|C<4>}	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	109.7450	2.548	2	109.7450	6.494	2	109.7450	6.494	2	109.7450	6.494	2	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:N[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(N[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6,6]N[5]S[5])(C[6]O[6]CH)(H)2	S[5](C[5,6]C[6,6]C[6]N[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(N[5]C[5])(S[5]C[5]){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[6,6]N[5]S[5])(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>,2|O<2>}	S[5](C[5,6]C[6,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,2|O<2>,3|H<1>}	111.5720	0.000	1	111.5720	0.000	1	111.5720	0.000	1	110.4583	3.451	15	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.1240	0.146	2	109.1240	0.021	2	110.5340	3.184	4	110.4583	3.451	15	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])(S[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	111.0560	0.000	1	111.0560	0.000	1	110.5340	3.184	4	110.4583	3.451	15	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6a]C[6]O)(H)2	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])(S[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6a]C[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	112.8320	0.000	1	112.8320	0.000	1	110.5340	3.184	4	110.4583	3.451	15	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]CH)(C[6]C[6]HH)(S[5]C[5])2	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]CH)(C[6]C[6]HH)(S[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	109.6755	1.633	2	109.6755	2.666	2	110.4756	4.844	8	110.4583	3.451	15	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(S[5]C[5])2	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(S[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.5080	1.022	2	110.5080	1.045	2	110.4756	4.844	8	110.4583	3.451	15	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(S[5]C[5])2	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]CH)(H)2	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(S[5]C[5])2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]CH)(H)2{1|S<4>,2|H<1>,3|C<4>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	112.2785	3.362	2	112.2785	11.305	2	110.4756	4.844	8	110.4583	3.451	15	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(S[5]C[5])2	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]HO)(H)2	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(S[5]C[5])2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]HO)(H)2{1|S<4>,2|H<1>,3|C<4>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.4405	2.995	2	109.4405	8.968	2	110.4756	4.844	8	110.4583	3.451	15	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:S[5]-2:S[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(S[5]C[5])2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(H)2	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(S[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(H)2{1|C<3>,1|S<2>,3|H<1>,5|C<4>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.6805	1.541	2	109.6805	2.374	2	109.6805	2.374	2	110.4583	3.451	15	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:S[5]-2:S[5]-2:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]CH)(C[6]C[6]HH)(S[5]C[5])2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(CCHH)(H)	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]CH)(C[6]C[6]HH)(S[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(CCHH)(H){1|C<3>,4|C<4>,5|H<1>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.5895	1.029	2	110.5895	1.059	2	110.5895	1.059	2	110.5895	1.059	2	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:2:2:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3)	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	113.4115	0.928	2	113.4115	0.862	2	113.4115	0.862	2	113.4115	0.862	2	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	S[5](C[5,6]C[6]2N[5])(C[5]C[5]CO){1|O<1>,3|C<4>,4|H<1>}	109.9205	0.765	4	109.9205	0.585	4	110.3343	0.749	16	110.3343	0.749	16	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5]){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	S[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|O<1>,3|C<4>,4|H<1>}	109.7040	1.295	2	109.8905	0.607	4	110.3343	0.749	16	110.3343	0.749	16	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5]){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	S[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|O<1>,3|C<4>,4|H<1>}	110.0770	0.061	2	109.8905	0.607	4	110.3343	0.749	16	110.3343	0.749	16	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(N[5]C[5]N)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)2(N[5]C[5]N)(S[5]C[5]){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	S[5](C[5,6]C[6]2N[5])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	111.1205	0.401	2	111.1205	0.161	2	110.3343	0.749	16	110.3343	0.749	16	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(N[5]C[5]N)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(N[5]C[5]N)(S[5]C[5]){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	S[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	110.6440	0.918	6	110.6440	0.843	6	110.3343	0.749	16	110.3343	0.749	16	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6,6]HH)(H)2	S[5](C[5,6]C[5]C[6]2)(C[5]C[5,6]HH)	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5]){4|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6,6]HH)(H)2{1|N<4>,3|C<4>,5|H<1>}	S[5](C[5,6]C[5]C[6]2)(C[5]C[5,6]HH){1|N<4>,3|C<4>,6|H<1>}	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	109.0503	4.390	4	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:P[5]-4:	C[5,6](C[5]O[5]HH)(C[6]C[6]HH)2(S[5]P[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[5]C[6]2)(P[5]O[5]OS)	C[5,6](C[5]O[5]HH)(C[6]C[6]HH)2(S[5]P[5]){1|C<4>,1|O<2>,1|S<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,6|H<1>}	S[5](C[5,6]C[5]C[6]2)(P[5]O[5]OS){2|C<4>,6|H<1>}	109.6425	3.430	2	109.6425	11.766	2	109.6425	11.766	2	109.0503	4.390	4	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:S[5]-2:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2	S[5](C[5,6]C[5]C[6]2)(C[5]C[5,6]HH)	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5]){4|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,6|H<1>}	S[5](C[5,6]C[5]C[6]2)(C[5]C[5,6]HH){1|N<4>,3|C<4>,6|H<1>}	108.4380	0.000	1	108.4380	0.000	1	108.4380	0.000	1	109.0503	4.390	4	111.1890	6.862	80	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5]	C[6]	S[5]	4:2:2:3:	4:4:4:1:	4:4:	C[6]-4:S[5]-2:S[5]-2:C-3:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[6]2H)(S[5]C[5])2(COO)	C[6](C[6]C[6,6]HH)(C[5]S[5]2C)(C[6]C[6]CH)(H)	S[5](C[5]C[6]S[5]C)(C[5]C[5]HH)	C[5](C[6]C[6]2H)(S[5]C[5])2(COO){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(C[5]S[5]2C)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	S[5](C[5]C[6]S[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	111.3515	3.378	2	111.3515	11.410	2	111.3515	11.410	2	111.3515	11.410	2	111.6537	5.979	3	111.0232	6.227	109
474	466	891	0:SP3_SP3_SP3	C[5]	C[6]	S[5]	4:3:2:1:	4:4:2:1:	4:4:	C[6]-4:N[5]-3:S[5]-2:H-1:	C[6,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[6,6]O[6]H)(N[5]C[5]C)(S[5]C[5])(H)	C[6](C[6,6]C[6,6]N[6]H)(C[5]N[5]S[5]H)(O[6]C[6])(H)	S[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6,6]O[6]H)(N[5]C[5]C)(S[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[5]N[5]S[5]H)(O[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	S[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	112.2580	0.000	1	112.2580	0.000	1	112.2580	0.000	1	112.2580	0.000	1	111.6537	5.979	3	111.0232	6.227	109
474	466	893	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O	4:4:2:2:	4:3:4:1:	4:3:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C-3:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[6,6]N[6,6]C[6]H)(O[5,6]C[5,5,6])(OC)	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	O(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])(CCO)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[6,6]N[6,6]C[6]H)(O[5,6]C[5,5,6])(OC){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])(CCO)	105.8050	0.000	1	105.8050	0.000	1	105.8050	0.000	1	105.8050	0.000	1	105.8050	0.000	1	109.6642	4.285	18
474	466	893	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O	4:2:4:2:	4:3:1:1:	4:3:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:O-2:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C-3:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(OC)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2	O(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(CCO)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(OC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(CCO)	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	109.6642	4.285	18
474	466	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:2:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a])	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H)	O(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	109.8729	3.799	16	109.6642	4.285	18
474	466	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:1:	4:3:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(CCO)	109.9230	0.000	1	109.9230	0.000	1	109.9230	0.000	1	109.9230	0.000	1	109.8729	3.799	16	109.6642	4.285	18
474	466	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:3:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	110.2070	0.560	4	110.2070	0.313	4	110.2070	0.313	4	110.2070	0.313	4	109.8729	3.799	16	109.6642	4.285	18
474	466	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC)	C[6](C[3,6]C[3,6]C[3]C)(C[5,6]C[5,6]C[5]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[5,6]C[5,6]C[5]O)(H)2{2|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	109.8650	0.000	1	109.8650	0.000	1	109.8650	0.000	1	106.8865	17.743	2	109.8729	3.799	16	109.6642	4.285	18
474	466	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	103.9080	0.000	1	103.9080	0.000	1	103.9080	0.000	1	106.8865	17.743	2	109.8729	3.799	16	109.6642	4.285	18
474	466	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:3:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	110.7790	0.000	1	110.7790	0.000	1	110.7790	0.000	1	110.7790	0.000	1	109.8729	3.799	16	109.6642	4.285	18
474	466	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:4:2:	3:4:2:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	109.8729	3.799	16	109.6642	4.285	18
474	466	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2{2|C<4>,2|O<2>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	113.2730	0.000	1	113.2730	0.000	1	113.2730	0.000	1	113.2730	0.000	1	109.8729	3.799	16	109.6642	4.285	18
474	466	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]2C[6])(CCO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]2C[6])(CCO)	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	110.6430	0.775	4	109.8729	3.799	16	109.6642	4.285	18
474	466	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|F<1>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	110.7670	0.000	1	110.7670	0.000	1	111.0700	0.069	3	110.6430	0.775	4	109.8729	3.799	16	109.6642	4.285	18
474	466	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	111.2160	0.000	1	111.2160	0.000	1	111.0700	0.069	3	110.6430	0.775	4	109.8729	3.799	16	109.6642	4.285	18
474	466	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	111.2270	0.000	1	111.2270	0.000	1	111.0700	0.069	3	110.6430	0.775	4	109.8729	3.799	16	109.6642	4.285	18
474	466	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){4|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	109.8729	3.799	16	109.6642	4.285	18
474	466	893	0:SP3_SP3_SP3	C[5,3x6]	C[4x6]	O	3:4:4:2:	4:4:3:4:	4:1:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(OH)	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	O(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	O(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])(H)	111.0050	0.000	1	111.0050	0.000	1	111.0050	0.000	1	111.0050	0.000	1	108.7362	5.703	6	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,3x6]	C[4x6]	O	4:4:3:2:	4:4:3:3:	4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H)	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	108.7362	5.703	6	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,3x6]	C[4x6]	O	4:4:3:2:	4:4:3:4:	4:1:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	O(C[5,3x6]C[5,5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[5,3x6]C[5,5,6,6]C[4x6]C[5,6])(H)	106.8460	0.000	1	106.8460	0.000	1	106.8460	0.000	1	107.7395	5.480	4	108.7362	5.703	6	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,3x6]	C[4x6]	O	4:4:3:2:	4:4:3:4:	4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	105.2880	0.000	1	108.0605	15.374	2	108.0373	7.688	3	107.7395	5.480	4	108.7362	5.703	6	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,3x6]	C[4x6]	O	4:4:3:2:	4:4:3:4:	4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	110.8330	0.000	1	108.0605	15.374	2	108.0373	7.688	3	107.7395	5.480	4	108.7362	5.703	6	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,3x6]	C[4x6]	O	4:4:3:2:	4:4:3:4:	4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	107.9910	0.000	1	107.9910	0.000	1	108.0373	7.688	3	107.7395	5.480	4	108.7362	5.703	6	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	O	4:4:4:2:	4:3:4:3:	4:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O-2:	C[5,3x6]-4:C[6,6]-3:C-4:C-3:	C[5,3x6]-4:C[5]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]C)2(C[6,6]C[6,6]CC)(OC[5])	C[6,6](C[5,3x6]C[5,6,6]2O)(C[6,6]C[3x6]O)(CC[5]HH)(CC[6a]O)	O(C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]O[5]C)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)2(C[6,6]C[6,6]CC)(OC[5]){2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2O)(C[6,6]C[3x6]O)(CC[5]HH)(CC[6a]O){1|C<3>,6|C<4>}	O(C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]O[5]C)	115.0400	0.000	1	115.0400	0.000	1	115.0400	0.000	1	115.0400	0.000	1	111.2070	11.351	3	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:O-2:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]O)(C[3x6]C[6,6]2H)(H)2	O(C[5,3x6]C[5,5,3x6]C[5,5x6]C[6,6])(H)	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH){10|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]O)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	O(C[5,3x6]C[5,5,3x6]C[5,5x6]C[6,6])(H)	109.2905	0.815	2	109.2905	0.665	2	109.2905	0.665	2	109.2905	0.665	2	111.2070	11.351	3	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH)	C[6](C[5,3x6]C[5,5,3x6]C[5,5,6,6]O)(C[5,6]O[5,6]O[5]C)(H)2	O(C[5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(H)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH){1|H<1>,4|O<2>,5|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,5,6,6]O)(C[5,6]O[5,6]O[5]C)(H)2{1|O<2>,6|C<4>}	O(C[5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(H)	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[6,6]-4:O-2:	C[5,5,6,6]-4:C[5,5x6]-4:H-1:H-1:	C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH)	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2	O(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[6,6])(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH){3|H<1>,6|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	O(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[6,6])(H)	110.5345	0.562	4	110.5345	0.315	4	110.5345	0.315	4	110.5345	0.315	4	110.5345	0.315	4	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[3x5,6]-4:C[3x6]-4:O-2:	C[5,5,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH)	C[3x6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[3x6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[3x6])(H)	109.8540	0.000	1	109.8540	0.000	1	109.8540	0.000	1	109.8540	0.000	1	109.8540	0.000	1	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,5,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[6,6]-4:C[3x5,6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH)	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H)	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6,6])(H)	113.4240	0.000	1	113.4240	0.000	1	113.4240	0.000	1	113.4240	0.000	1	113.4240	0.000	1	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[3x5,6]-4:C[6]-4:O-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH)	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]HH)(H)2	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH){1|Cl<1>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	108.8620	0.000	1	108.8620	0.000	1	108.8620	0.000	1	108.4285	0.376	2	108.4285	0.376	2	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:O-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6]C[6]HH)(H)2	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	107.9950	0.000	1	107.9950	0.000	1	107.9950	0.000	1	108.4285	0.376	2	108.4285	0.376	2	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	111.5917	0.400	3	111.9117	0.454	6	111.9117	0.454	6	111.9117	0.454	6	110.9809	3.625	12	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<4>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	112.0205	1.033	2	111.9117	0.454	6	111.9117	0.454	6	111.9117	0.454	6	110.9809	3.625	12	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	112.6540	0.000	1	111.9117	0.454	6	111.9117	0.454	6	111.9117	0.454	6	110.9809	3.625	12	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[3x6]-4:C[5,6,6]-4:N[5]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]C)(N[5]C[5])(OH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H)	O(C[5,6,6]C[5,6,6]C[3x6]N[5])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]C)(N[5]C[5])(OH){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]N[5])(H)	111.9950	0.000	1	111.9950	0.000	1	111.9950	0.000	1	111.9950	0.000	1	110.9809	3.625	12	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH)	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	110.9809	3.625	12	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O	4:4:3:2:	4:4:2:2:	4:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[3x6]-4:O[6]-2:O[6]-2:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH)	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2C)(O[6]C[6,6a])(O[6]C[6])	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2C)(O[6]C[6,6a])(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	111.8650	0.010	2	111.8650	0.000	2	111.8650	0.000	2	111.8650	0.000	2	110.9809	3.625	12	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH)	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H)	O(C[5,6,6]C[5,6,6]C[3x6]C[5])(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5])(H)	109.8080	0.000	1	108.0300	6.323	2	108.0300	6.323	2	108.0300	6.323	2	110.9809	3.625	12	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH)	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H)	O(C[5,6,6]C[5,6,6]C[3x6]C[5])(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5])(H)	106.2520	0.000	1	108.0300	6.323	2	108.0300	6.323	2	108.0300	6.323	2	110.9809	3.625	12	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(OH)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]O)(C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)	O(C[5,6,6]C[5,5,6]C[6,6]N[5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(OH){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]O)(C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H){2|C<3>,7|C<4>}	O(C[5,6,6]C[5,5,6]C[6,6]N[5,6])(H)	111.1770	0.000	1	111.1770	0.000	1	111.1770	0.000	1	111.1770	0.000	1	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:3:4:2:	4:4:4:3:	4:1:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5,6]C[6])(C[6,6]C[6]2C)(OH)	C[6,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO)	O(C[5,6,6]C[5,6,6]C[6,6]N[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5,6]C[6])(C[6,6]C[6]2C)(OH){2|N<3>,3|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO){1|N<2>,4|C<3>,4|C<4>}	O(C[5,6,6]C[5,6,6]C[6,6]N[5,6])(H)	111.4730	0.000	1	111.4730	0.000	1	111.4730	0.000	1	111.4730	0.000	1	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH){1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2{2|O<2>,6|C<4>}	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	108.1330	0.000	1	110.7935	14.157	2	110.7935	14.157	2	110.7935	14.157	2	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH){2|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2{2|O<2>,6|C<4>}	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	113.4540	0.000	1	110.7935	14.157	2	110.7935	14.157	2	110.7935	14.157	2	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5])(OC)	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(H)2	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5])(OC){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	110.6450	0.392	2	110.6450	0.153	2	110.6450	0.153	2	110.6450	0.153	2	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,3x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]HO)(O[5]C[5])(OH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]HO)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(H)	107.7800	0.000	1	107.7800	0.000	1	107.7800	0.000	1	107.7800	0.000	1	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:4:	C[5,5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HO)(O[5]C[5])(OC)	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H)	O(C[5,6,6]C[5,5,3x6]C[6,6]O[5])(CH3)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HO)(O[5]C[5])(OC){4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H){4|C<4>,4|H<1>}	O(C[5,6,6]C[5,5,3x6]C[6,6]O[5])(CH3)	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5,5,6]CH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(OH)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(H)	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,6]C[5,5,6]CH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(OH){1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	113.9850	0.168	2	113.9850	0.028	2	113.9850	0.028	2	113.9850	0.028	2	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[6,6]C[6,6]CH)(O[5,6]C[5,6])(OH)	C[6,6](C[5,6,6]C[5,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(CH3)(H)	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[6,6]C[6,6]CH)(O[5,6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	114.7130	0.000	1	114.7130	0.000	1	114.7130	0.000	1	114.7130	0.000	1	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:3:2:	4:3:2:1:	4:4:	C[5,6]-4:C[6,6]-4:C[5,6]-3:O-2:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]H)(O[6]C[6])(H)	O(C[5,6,6]C[5,6]2C[6,6])(CH3)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	O(C[5,6,6]C[5,6]2C[6,6])(CH3)	104.9920	0.000	1	104.9920	0.000	1	104.9920	0.000	1	104.9920	0.000	1	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2H)(H)2	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH){1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2H)(H)2{1|O<1>,4|C<4>,4|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	111.4890	0.000	1	111.4890	0.000	1	111.4890	0.000	1	109.4130	8.620	2	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,5,3x6]C[5]O)(H)2	O(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH){3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,5,3x6]C[5]O)(H)2{1|O<1>,2|N<3>,4|C<4>,5|H<1>}	O(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)	107.3370	0.000	1	107.3370	0.000	1	107.3370	0.000	1	109.4130	8.620	2	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	O(C[5,6,6]C[5,3x6]C[5,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,4|H<1>,6|C<4>}	O(C[5,6,6]C[5,3x6]C[5,6]C[6,6])(H)	109.4075	0.482	2	109.4075	0.232	2	109.4075	0.232	2	109.4075	0.232	2	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]CH)(OH)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6,6]C[6]O[6]H)(CH3)(H)	O(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]CH)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6,6]C[6]O[6]H)(CH3)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	106.5370	0.245	3	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH){1|C<3>,4|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<4>}	O(C[5,6,6]C[5,6]2C[6,6])(H)	106.2640	0.206	2	106.2640	0.043	2	106.2640	0.043	2	106.5370	0.245	3	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH)	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH){5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	O(C[5,6,6]C[5,6]2C[6,6])(H)	112.1500	0.000	1	112.1500	0.000	1	112.1500	0.000	1	112.1500	0.000	1	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	110.2010	0.000	1	110.2010	0.000	1	111.5127	0.431	6	110.7431	4.504	7	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	111.8390	0.046	4	111.8390	0.002	4	111.5127	0.431	6	110.7431	4.504	7	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	111.5190	0.000	1	111.5190	0.000	1	111.5127	0.431	6	110.7431	4.504	7	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(CH3)	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	O(C[5,6,6]C[5,6]2C[6,6])(H)	106.1260	0.000	1	106.1260	0.000	1	106.1260	0.000	1	110.7431	4.504	7	110.2747	7.212	27	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]H)(H)2	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	110.9980	0.000	1	110.9980	0.000	1	110.9980	0.000	1	110.9980	0.000	1	108.1093	4.589	16	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	108.6220	0.000	1	106.9940	4.387	3	106.9940	4.387	3	106.5777	2.109	6	108.1093	4.589	16	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){3|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	106.1800	2.191	2	106.9940	4.387	3	106.9940	4.387	3	106.5777	2.109	6	108.1093	4.589	16	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]HH)(H)2	O(C[5,6,6]C[5,6,6]2C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	O(C[5,6,6]C[5,6,6]2C[6])(H)	106.7910	0.000	1	106.7910	0.000	1	106.7910	0.000	1	106.5777	2.109	6	108.1093	4.589	16	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	106.1080	0.000	1	106.1080	0.000	1	105.8465	0.137	2	106.5777	2.109	6	108.1093	4.589	16	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6,6]HH)(H)2	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	105.5850	0.000	1	105.5850	0.000	1	105.8465	0.137	2	106.5777	2.109	6	108.1093	4.589	16	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHHO)	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHHO)	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	108.1093	4.589	16	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){2|H<1>,6|C<4>}	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	107.3960	0.472	2	107.3960	0.223	2	107.3960	0.223	2	108.7977	6.006	3	108.1093	4.589	16	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	111.6010	0.000	1	111.6010	0.000	1	111.6010	0.000	1	108.7977	6.006	3	108.1093	4.589	16	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	109.6787	0.851	3	108.4156	3.663	5	108.4156	3.663	5	108.4156	3.663	5	108.1093	4.589	16	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	106.5210	1.113	2	108.4156	3.663	5	108.4156	3.663	5	108.4156	3.663	5	108.1093	4.589	16	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	3:3:4:2:	4:4:2:2:	4:2:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-4:O-2:	C[3,3x6]-4:C[5,6]-4:O[6]-2:O-2:	C[5,6]-4:O-2:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3,3x6]O[6]O)(OO)	C[6,6](C[3,3x6]C[3,5,6,6]C[3x6]O[3])(C[5,6]C[5,6,6a]C[5,6a]O)(O[6]C[6,6])(OH)	O(C[5,6]C[5,6,6a]C[5,6a]C[6,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3,3x6]O[6]O)(OO){1|O<2>,3|C<4>,5|C<3>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3x6]O[3])(C[5,6]C[5,6,6a]C[5,6a]O)(O[6]C[6,6])(OH){1|N<4>,3|C<4>,5|C<3>}	O(C[5,6]C[5,6,6a]C[5,6a]C[6,6])(OC)	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	3:4:3:2:	4:4:4:1:	4:4:	C[5,6a]-3:C[6,6]-4:N[5,6]-3:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[5,6]C[6]S[5])(OC)	C[6,6](C[5,6]C[5,6a]N[5,6]O)(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	O(C[5,6]C[5,6a]C[6,6]N[5,6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[5,6]C[6]S[5])(OC){1|O<2>,2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6a]N[5,6]O)(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|S<4>,2|H<1>,6|C<3>}	O(C[5,6]C[5,6a]C[6,6]N[5,6])(CH3)	105.9900	0.000	1	105.9900	0.000	1	105.9900	0.000	1	105.9900	0.000	1	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	3:4:4:2:	4:3:4:1:	4:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH)	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H)	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H){2|H<1>,3|C<4>,5|C<3>}	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	110.0445	0.030	2	110.0445	0.001	2	105.9825	9.914	6	105.9825	9.914	6	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	3:4:4:2:	4:3:4:1:	4:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH)	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	103.9515	0.152	4	103.9515	0.023	4	105.9825	9.914	6	105.9825	9.914	6	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(OH)	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(OH){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	112.2780	0.000	1	112.2780	0.000	1	112.2780	0.000	1	112.2780	0.000	1	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:2:3:2:	4:4:4:4:	4:1:	C[6,6]-4:O[5,6]-2:C[5]-3:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]H)(OH)	C[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	O(C[5,6]C[6,6]O[5,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]H)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	O(C[5,6]C[6,6]O[5,6]C[5])(H)	111.5040	0.000	1	111.5040	0.000	1	111.5040	0.000	1	111.5040	0.000	1	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:3:2:2:	4:4:2:1:	4:1:	C[6,6]-4:C[5,6]-3:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(OH)	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O(C[5,6]C[5,6]C[6,6]O[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[5,6]C[5,6]C[6,6]O[5])(H)	112.8830	0.000	2	112.8830	0.000	2	112.8830	0.000	2	112.8830	0.000	2	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:3:3:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH){3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(OC)	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]S[6]H)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[6,6]O[5])(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(OC){1|O<1>,1|S<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]S[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[6,6]O[5])(CH3)	112.6910	0.000	1	112.6910	0.000	1	112.6910	0.000	1	112.6910	0.000	1	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:O-2:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]O[6]H)(C[5]O[5]O)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]O[6]H)(C[5]O[5]O)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H){1|O<2>,2|O<1>,5|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH){3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	109.2190	0.000	1	109.2190	0.000	1	109.2190	0.000	1	109.2190	0.000	1	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|H<1>,7|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	111.1470	0.000	1	111.1470	0.000	1	111.1470	0.000	1	111.1470	0.000	1	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[3x6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H){2|C<3>,4|H<1>,6|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	110.4855	0.009	4	110.4855	0.000	4	110.4855	0.000	4	108.8271	3.611	14	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	107.8790	0.000	1	106.5535	3.514	2	108.4847	2.785	9	108.8271	3.611	14	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){5|H<1>,7|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	105.2280	0.000	1	106.5535	3.514	2	108.4847	2.785	9	108.8271	3.611	14	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	107.0210	0.000	1	107.0210	0.000	1	108.4847	2.785	9	108.8271	3.611	14	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){3|C<3>,4|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	109.7810	0.000	1	109.5740	0.804	5	108.4847	2.785	9	108.8271	3.611	14	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	107.9960	0.000	1	109.5740	0.804	5	108.4847	2.785	9	108.8271	3.611	14	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	109.8640	0.000	1	109.5740	0.804	5	108.4847	2.785	9	108.8271	3.611	14	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	110.1145	0.117	2	109.5740	0.804	5	108.4847	2.785	9	108.8271	3.611	14	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.3640	0.000	1	108.3640	0.000	1	108.4847	2.785	9	108.8271	3.611	14	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){2|C<3>,4|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	105.2760	0.000	1	105.2760	0.000	1	105.2760	0.000	1	108.8271	3.611	14	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	104.0910	0.000	1	104.0910	0.000	1	104.0910	0.000	1	108.0488	2.386	27	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	105.0830	0.000	1	105.0830	0.000	1	108.0500	1.863	23	108.0488	2.386	27	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.3730	0.229	2	108.1848	1.513	22	108.0500	1.863	23	108.0488	2.386	27	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.3640	0.648	2	108.1848	1.513	22	108.0500	1.863	23	108.0488	2.386	27	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	107.1917	1.737	3	108.1848	1.513	22	108.0500	1.863	23	108.0488	2.386	27	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	109.0900	0.061	2	108.1848	1.513	22	108.0500	1.863	23	108.0488	2.386	27	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	106.7260	0.000	1	108.1848	1.513	22	108.0500	1.863	23	108.0488	2.386	27	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.7554	0.385	10	108.1848	1.513	22	108.0500	1.863	23	108.0488	2.386	27	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	104.4690	0.000	1	108.1848	1.513	22	108.0500	1.863	23	108.0488	2.386	27	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.0880	0.000	1	108.1848	1.513	22	108.0500	1.863	23	108.0488	2.386	27	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	109.6050	0.000	1	109.3593	0.115	3	109.3593	0.115	3	108.0488	2.386	27	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	109.2365	0.374	2	109.3593	0.115	3	109.3593	0.115	3	108.0488	2.386	27	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH){1|O<2>,5|H<1>,7|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	106.3520	0.000	1	106.3520	0.000	1	106.3520	0.000	1	106.3520	0.000	1	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO){2|C<3>,4|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	111.4817	0.583	3	111.4817	0.339	3	111.4817	0.339	3	111.4817	0.339	3	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[3x6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH)	C[6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>,4|O<2>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	111.1335	0.025	2	111.1335	0.001	2	111.1335	0.001	2	111.1335	0.001	2	108.7893	6.087	64	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	2:4:2:2:	4:4:3:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(OC)	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(COO)(H)	O(C[5,6]O[5,6]C[6]O[5])(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(OC){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(COO)(H){2|C<4>,2|H<1>}	O(C[5,6]O[5,6]C[6]O[5])(CH3)	109.3723	0.193	3	109.3723	0.037	3	109.3723	0.037	3	109.3723	0.037	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	2:4:2:2:	4:4:4:3:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]C[5])(OC)	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(CC[6a]HH)(COO)	O(C[5,6]O[5,6]C[6]O[5])(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]C[5])(OC){2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(CC[6a]HH)(COO){2|C<4>,2|H<1>}	O(C[5,6]O[5,6]C[6]O[5])(CH3)	110.5835	0.176	2	110.5835	0.031	2	110.5835	0.031	2	110.5835	0.031	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	2:4:3:2:	4:3:1:1:	4:1:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)2	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]C)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[5,6]O[5,6]C[5]C[6])(H)	108.7335	0.052	2	108.7335	0.003	2	108.7335	0.003	2	108.7335	0.003	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	2:4:3:2:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:N[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(N[5]C[5]C)(OC)	C[6](C[5,6]O[5,6]N[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]O[5,6]C[6]N[5])(CH3)	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>}	C[6](C[5,6]O[5,6]N[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[5,6]O[5,6]C[6]N[5])(CH3)	110.0610	0.481	2	110.0610	0.231	2	110.0610	0.231	2	110.0610	0.231	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	2:4:3:2:	4:4:4:1:	4:1:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6a]C[6]H)(CCCH)(H)	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6a]C[6]H)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[5,6]O[5,6]C[5]C[6])(H)	111.1995	0.476	2	111.1995	0.226	2	111.1995	0.226	2	111.1995	0.226	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	2:4:4:2:	4:3:4:4:	4:1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]N[6]O)(CH3)2	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]N[6]O)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	O(C[5,6]O[5,6]C[5]C[6])(H)	107.3420	0.000	1	107.3420	0.000	1	107.3420	0.000	1	107.3420	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	2:4:4:2:	4:4:1:1:	4:1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{6|C<4>}	O(C[5,6]O[5,6]C[5]C[6])(H)	111.5000	0.000	1	111.5687	0.013	3	111.2543	3.665	6	111.2543	3.665	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	2:4:4:2:	4:4:1:1:	4:1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{6|C<4>}	O(C[5,6]O[5,6]C[5]C[6])(H)	111.6030	0.134	2	111.5687	0.013	3	111.2543	3.665	6	111.2543	3.665	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	2:4:4:2:	4:4:1:1:	4:1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	O(C[5,6]O[5,6]C[5]C[6])(H)	107.5460	0.000	1	110.9400	8.853	3	111.2543	3.665	6	111.2543	3.665	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	2:4:4:2:	4:4:1:1:	4:1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|Si<4>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	O(C[5,6]O[5,6]C[5]C[6])(H)	112.6370	0.653	2	110.9400	8.853	3	111.2543	3.665	6	111.2543	3.665	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:3:4:2:	4:3:2:1:	4:1:	C[5,6a]-3:N[5,6]-3:C[6]-4:O-2:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(OH)	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[5,6]C[5,6a]N[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,5|C<3>}	O(C[5,6]C[5,6a]N[5,6]C[6])(H)	107.4810	0.000	1	107.4810	0.000	1	107.4810	0.000	1	107.4810	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:3:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[5,6]-3:C[6]-4:O-2:	C[4x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[4x6]HH)(OH)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5,6]C[5,6a]C[5,6]O)(H)2	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[4x6]HH)(OH){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5,6]C[5,6a]C[5,6]O)(H)2{1|N<2>,1|N<3>,2|C<4>,3|C<3>,4|H<1>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	106.9730	0.000	1	106.9730	0.000	1	106.9730	0.000	1	107.4075	0.378	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:3:4:2:	4:4:1:1:	4:1:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OH)	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2	O(C[5,6]N[5,6]C[5]C[6])(H)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OH){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	O(C[5,6]N[5,6]C[5]C[6])(H)	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	107.4075	0.378	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:3:4:2:	4:4:1:1:	4:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(OO)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]CH)(H)2	O(C[5,6]C[5,6a]C[5,6]C[6])(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(OO){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(C[5,6]C[5,6a]C[5,6]C[6])(OH)	103.5430	0.000	1	103.5430	0.000	1	103.5430	0.000	1	103.5430	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:3:4:2:	4:4:1:1:	4:4:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OC)	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2	O(C[5,6]N[5,6]C[5]C[6])(CCHH)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OC){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	O(C[5,6]N[5,6]C[5]C[6])(CCHH)	106.4570	0.000	1	106.4570	0.000	1	106.4570	0.000	1	106.4570	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:3:4:2:	4:4:2:1:	4:1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6,6a]C[5,6a]O)(C[6]C[6]HH)(OC)(H)	O(C[5,6]C[5,6,6a]C[5,6a]C[6])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)(OH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5,6a]O)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	O(C[5,6]C[5,6,6a]C[5,6a]C[6])(H)	109.1285	0.613	2	109.1285	0.376	2	109.1285	0.376	2	109.1285	0.376	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:3:4:2:	4:4:3:1:	4:1:	C[5,6a]-3:N[5,6]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(COO)(H)	O(C[5,6]C[5,6a]N[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<1>,3|C<3>}	O(C[5,6]C[5,6a]N[5,6]C[6])(H)	106.5780	0.000	1	106.5780	0.000	1	106.5780	0.000	1	106.5780	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:3:4:2:	4:4:4:1:	4:1:	C[5,6a]-3:N[5,6]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	O(C[5,6]C[5,6a]N[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[5,6]C[5,6a]N[5,6]C[6])(H)	106.4620	0.000	1	106.4620	0.000	1	106.4620	0.000	1	106.4620	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:3:4:2:	4:4:4:4:	4:1:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]CC)(OH)	C[6](C[5,6]N[5,6]C[5]O)(C[6]C[6]HH)(CCHH)2	O(C[5,6]N[5,6]C[5]C[6])(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]CC)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]O)(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	O(C[5,6]N[5,6]C[5]C[6])(H)	109.0607	2.771	3	109.0607	7.677	3	109.0607	7.677	3	109.0607	7.677	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:3:2:2:	4:4:	C[5,6]-3:C[6]-4:S[5]-2:O-2:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC)	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	O(C[5,6]C[5,6]C[6]S[5])(CCHH)	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC){5|C<3>}	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	O(C[5,6]C[5,6]C[6]S[5])(CCHH)	105.7140	0.000	1	105.7140	0.000	1	105.7140	0.000	1	105.7140	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	O(C[5,6]C[5,6]C[6]O[5])(H)	109.9580	0.000	1	109.7485	0.227	4	109.6130	2.229	11	109.9783	4.238	13	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O(C[5,6]C[5,6]C[6]O[5])(H)	109.2390	0.000	1	109.7485	0.227	4	109.6130	2.229	11	109.9783	4.238	13	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	109.4900	0.000	1	109.7485	0.227	4	109.6130	2.229	11	109.9783	4.238	13	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	110.3070	0.000	1	109.7485	0.227	4	109.6130	2.229	11	109.9783	4.238	13	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,4|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	107.8460	0.547	2	109.4533	4.242	6	109.6130	2.229	11	109.9783	4.238	13	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	O(C[5,6]C[5,6]C[6]O[5])(H)	109.2855	0.066	2	109.4533	4.242	6	109.6130	2.229	11	109.9783	4.238	13	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	111.2285	3.062	2	109.4533	4.242	6	109.6130	2.229	11	109.9783	4.238	13	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]O)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	110.0290	0.000	1	110.0290	0.000	1	109.6130	2.229	11	109.9783	4.238	13	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[5,6]HH)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O[5]C[5])(OH){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	108.9030	0.000	1	108.9030	0.000	1	108.9030	0.000	1	109.9783	4.238	13	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	115.0720	0.000	1	115.0720	0.000	1	115.0720	0.000	1	109.9783	4.238	13	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:4:	C[5,6,6a]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6,6a]O[5]O)(C[6]C[6]CH)(H)2	O(C[5,6]C[5,6,6a]C[6]O[5])(CC[6a]HH)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(OC){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6a]O[5]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[5,6]C[5,6,6a]C[6]O[5])(CC[6a]HH)	106.9650	0.000	1	106.9650	0.000	1	106.9650	0.000	1	106.5985	1.776	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HH)(O[5]C[5])(OC[5])	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]O)(H)2	O(C[5,6]C[5,6]C[6]O[5])(C[5]C[3,5]O[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HH)(O[5]C[5])(OC[5]){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(C[5]C[3,5]O[5]H)	105.4450	0.000	1	105.4450	0.000	1	105.4450	0.000	1	106.5985	1.776	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]2H)(H)2	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,6|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	105.7320	0.933	2	105.7320	0.871	2	105.7320	0.871	2	106.5985	1.776	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	106.8920	0.000	1	106.8920	0.000	1	107.8585	1.868	2	106.5985	1.776	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[6](C[6,6]C[3x6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(H)2	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(H)2{1|H<1>,2|C<3>,5|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	108.8250	0.000	1	108.8250	0.000	1	107.8585	1.868	2	106.5985	1.776	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:2:2:	4:4:4:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:P-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(PC[6a]2O)(H)	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC){1|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(PC[6a]2O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	112.3080	0.000	1	112.3080	0.000	1	112.3080	0.000	1	112.3080	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:3:2:	4:4:2:1:	4:1:	C[5,6]-3:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.0695	3.601	2	109.0695	12.969	2	109.0695	12.969	2	109.0695	12.969	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-3:C[3,5]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[3,5]O)(C[6,6]C[5,6,6]C[5,6]H)(H)2	O(C[5,6]C[5,6,6]C[3,5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[3,5]O)(C[6,6]C[5,6,6]C[5,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,6|C<4>}	O(C[5,6]C[5,6,6]C[3,5]C[6])(H)	105.1560	0.000	1	105.1560	0.000	1	105.1560	0.000	1	108.4148	8.973	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6]-3:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]BrN)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]BrN)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.5180	0.000	1	111.5180	0.000	1	111.5180	0.000	1	108.4148	8.973	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[5,6]O[5,6]C[5]H)(H)2	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH){1|O<2>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	110.2080	0.000	1	110.2080	0.000	1	110.2080	0.000	1	108.4148	8.973	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	111.1090	0.000	1	111.1090	0.000	1	107.9075	20.499	2	108.4148	8.973	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	104.7060	0.000	1	104.7060	0.000	1	107.9075	20.499	2	108.4148	8.973	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	N[5,5,6]-3:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]N[5,5,6]C[5]O)(C[6]N[6]CC)(H)2	O(C[5,6]N[5,5,6]C[5]C[6])(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6](C[5,6]N[5,5,6]C[5]O)(C[6]N[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	O(C[5,6]N[5,5,6]C[5]C[6])(H)	107.7920	0.000	1	107.7920	0.000	1	107.7920	0.000	1	108.4148	8.973	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:4:	C[5,6]-3:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	111.3640	0.232	2	111.3640	0.054	2	111.3640	0.054	2	111.3640	0.054	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(COS)(H)	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(COS)(H){2|C<4>,2|H<1>,3|C<3>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	112.5125	0.135	2	112.5125	0.018	2	112.5125	0.018	2	112.5125	0.018	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5,6]-3:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H){2|H<1>,3|C<3>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.2840	0.110	2	110.2840	0.012	2	110.2840	0.012	2	110.2840	0.012	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:2:4:2:	4:3:4:4:	4:1:	C[3,5]-4:O[5,6]-2:C[6]-4:O-2:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]C[6]CC)(OH)	C[6](C[5,6]C[3,5]O[5,6]O)(C[6]N[6]O)(CH3)2	O(C[5,6]C[3,5]O[5,6]C[6])(H)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]C[6]CC)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[3,5]O[5,6]O)(C[6]N[6]O)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	O(C[5,6]C[3,5]O[5,6]C[6])(H)	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	112.6660	0.000	1	112.6660	0.000	1	111.1790	3.837	4	111.1790	3.837	4	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CH)(H)2	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	109.4980	0.363	2	109.4980	0.132	2	111.1790	3.837	4	111.1790	3.837	4	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	113.0540	0.000	1	113.0540	0.000	1	111.1790	3.837	4	111.1790	3.837	4	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:3:4:2:	4:3:1:1:	4:1:	C[5,6]-4:N[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]S[5]C)(N[5]C[6a]C[5])(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]O)(H)2	O(C[5,6]C[5,6]C[6]N[5])(H)	C[5,6](C[5,6]C[6]S[5]C)(N[5]C[6a]C[5])(C[6]C[6]HH)(OH){1|C<4>,1|H<1>,1|O<1>,1|S<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]O)(H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[6]N[5])(H)	104.7490	0.000	1	104.7490	0.000	1	104.7490	0.000	1	104.7490	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]C[6]N[6]H)(H)2	O(C[5,6]C[5,5,6]C[5,6a]C[6])(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]C[6]N[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	O(C[5,6]C[5,5,6]C[5,6a]C[6])(H)	109.9750	0.000	1	109.9750	0.000	1	110.6190	0.317	3	110.5513	0.402	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]N[6a]C[6]H)(H)2	O(C[5,6]C[5,5,6]C[5,6a]C[6])(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]N[6a]C[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	O(C[5,6]C[5,5,6]C[5,6a]C[6])(H)	110.9410	0.107	2	110.9410	0.012	2	110.6190	0.317	3	110.5513	0.402	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5,6a]O)(C[6]N[6]HH)(H)2	O(C[5,6]C[5,6,6]C[5,6a]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6,6]C[5,6a]O)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	O(C[5,6]C[5,6,6]C[5,6a]C[6])(H)	109.9010	0.000	1	109.9010	0.000	1	109.9010	0.000	1	110.5513	0.402	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.7750	0.916	2	110.7750	0.840	2	110.7750	0.840	2	110.5513	0.402	6	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	113.3130	0.000	1	113.3130	0.000	1	113.3130	0.000	1	113.3130	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:3:1:1:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]H)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]H)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	110.8750	0.000	1	110.8750	0.000	1	110.8750	0.000	1	110.8750	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:3:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]C)(H)2	O(C[5,6]C[5,5,6]C[6]O[5])(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OC){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[5,6]C[5,5,6]C[6]O[5])(CH3)	113.9300	0.000	1	113.9300	0.000	1	113.9300	0.000	1	113.9300	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:3:2:1:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H){1|H<1>,2|O<2>,5|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	111.4650	0.529	2	111.4650	0.280	2	111.4650	0.280	2	110.3740	3.711	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:3:2:1:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6,6]C)(OH)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6,6]C)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	108.1920	0.000	1	108.1920	0.000	1	108.1920	0.000	1	110.3740	3.711	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:3:2:1:	4:4:	C[5,5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[6]C[6]HO)(O[5]C[5,6])(OC)	C[6](C[5,6]C[5,5,6,6]O[5]O)(C[6]C[6]O)(OC)(H)	O(C[5,6]C[5,5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[6]C[6]HO)(O[5]C[5,6])(OC){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6,6]O[5]O)(C[6]C[6]O)(OC)(H){1|N<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,5,6,6]C[6]O[5])(CH3)	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	112.6125	1.038	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:3:2:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5,6])(OC)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(OH)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5,6])(OC){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	113.3330	0.000	1	113.3330	0.000	1	113.3330	0.000	1	112.6125	1.038	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[5,6]CH)(H)2	O(C[5,6]C[5,5,6]C[6]O[5])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OH){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<4>}	O(C[5,6]C[5,5,6]C[6]O[5])(H)	110.8743	2.447	4	110.8743	5.990	4	110.8743	5.990	4	109.3530	5.508	20	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6,6]O[5]O)(H)2	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6,6]O[5]O)(H)2{2|H<1>,2|O<2>,5|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	106.8150	0.000	1	106.8150	0.000	1	106.8150	0.000	1	109.3530	5.508	20	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[3x6]O[5,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[3x6]C[5,6]C)(H)2	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[3x6]O[5,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[3x6]C[5,6]C)(H)2{3|O<2>,6|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	107.5600	0.226	2	107.5600	0.051	2	108.6471	4.580	7	109.3530	5.508	20	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,8|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	109.2320	0.000	1	109.2320	0.000	1	108.6471	4.580	7	109.3530	5.508	20	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]2H)(H)2	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){2|H<1>,7|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]2H)(H)2{1|H<1>,8|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	109.0445	2.834	4	109.0445	8.030	4	108.6471	4.580	7	109.3530	5.508	20	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]N[5,6]HH)(H)2	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(OH){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]N[5,6]HH)(H)2{5|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	111.6920	0.000	1	111.6920	0.000	1	111.6920	0.000	1	109.3530	5.508	20	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH){2|H<1>,4|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	109.5625	3.680	2	109.5625	13.546	2	109.5625	13.546	2	109.3530	5.508	20	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	109.3530	5.508	20	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	112.0360	0.000	1	112.0360	0.000	1	109.1295	6.833	4	109.3530	5.508	20	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]N[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6]S[6]HH)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]N[5])(OH){1|C<4>,1|S<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]S[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	109.6210	0.000	1	109.6210	0.000	1	109.1295	6.833	4	109.3530	5.508	20	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OH){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	109.1680	0.000	1	109.1680	0.000	1	109.1295	6.833	4	109.3530	5.508	20	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]S)(C[6]C[6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]S)(C[6]C[6]HH)(O[5]C[5])(OH){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2{1|S<4>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	105.6930	0.000	1	105.6930	0.000	1	109.1295	6.833	4	109.3530	5.508	20	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[3,5,6]O[5]O)(C[5,6]C[3,5]C[5,6]C)(H)2	O(C[5,6]C[3,5,6]C[6]O[5])(CH3)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[3,5,6]O[5]O)(C[5,6]C[3,5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O(C[5,6]C[3,5,6]C[6]O[5])(CH3)	107.6970	0.000	1	107.6970	0.000	1	107.6970	0.000	1	111.9108	5.780	5	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]O)(H)2	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HH)(O[5]C[5])(OC){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	112.2020	0.000	1	112.2020	0.000	1	112.2020	0.000	1	111.9108	5.780	5	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]O[6]H)(H)2	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	112.9020	0.000	1	112.9020	0.000	1	112.9020	0.000	1	111.9108	5.780	5	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,2|C<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	113.3640	0.000	1	113.3640	0.000	1	113.3765	0.000	2	111.9108	5.780	5	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(OC){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	113.3890	0.000	1	113.3890	0.000	1	113.3765	0.000	2	111.9108	5.780	5	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6,6]HO)(O[5]C[5])(OH)	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(H)	O(C[5,6]C[3,5,6]C[6]O[5])(H)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O(C[5,6]C[3,5,6]C[6]O[5])(H)	111.6100	0.000	1	111.6100	0.000	1	111.6100	0.000	1	111.7433	7.185	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH)	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH){1|O<2>,2|H<1>,6|C<4>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	111.7433	7.185	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H){3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	114.4880	0.000	1	114.4880	0.000	1	114.4880	0.000	1	111.7433	7.185	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	3:4:3:1:	4:1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){1|C<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	109.5335	1.194	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	3:4:3:1:	4:1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.7610	0.000	1	108.7610	0.000	1	108.7610	0.000	1	109.5335	1.194	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]Cl)(Cl)(H)	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]Cl)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	105.4720	0.000	1	105.4720	0.000	1	105.4720	0.000	1	109.2997	18.725	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C[6]H)	108.4320	0.000	1	108.4320	0.000	1	108.4320	0.000	1	109.2997	18.725	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:Si-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	113.9950	0.000	1	113.9950	0.000	1	113.9950	0.000	1	109.2997	18.725	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:4:1:	4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)(H)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	106.7960	0.000	1	106.7960	0.000	1	106.7960	0.000	1	106.7960	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[3,5,6]-4:C[6]-4:N[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5,6]C[3,5]C[3,6]O)(C[6]C[6]HH)(N[5]C[5]C)(OH)	C[6](C[5,6]C[3,5,6]N[5]O)(C[6]C[6a]C[6]H)(H)2	O(C[5,6]C[3,5,6]C[6]N[5])(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]O)(C[6]C[6]HH)(N[5]C[5]C)(OH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[3,5,6]N[5]O)(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	O(C[5,6]C[3,5,6]C[6]N[5])(H)	107.8850	0.000	1	107.8850	0.000	1	107.8850	0.000	1	109.4516	7.694	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[6]-4:N[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(OH)	C[6](C[5,6]C[5,5,6]N[5]O)(C[6]C[5,6]HH)(H)2	O(C[5,6]C[5,5,6]C[6]N[5])(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,5,6]N[5]O)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	O(C[5,6]C[5,5,6]C[6]N[5])(H)	107.0780	2.572	2	107.0780	6.618	2	107.0780	6.618	2	109.4516	7.694	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(Br)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(Br)(H){1|O<1>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	114.5310	0.000	1	114.5310	0.000	1	114.5310	0.000	1	109.4516	7.694	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[3x6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.8860	0.000	1	106.8860	0.000	1	109.6059	5.471	8	109.4516	7.694	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.3505	3.098	2	109.3505	9.597	2	109.6059	5.471	8	109.4516	7.694	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.3105	3.637	2	109.3105	13.225	2	109.6059	5.471	8	109.4516	7.694	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.8060	0.000	1	109.8060	0.000	1	109.6059	5.471	8	109.4516	7.694	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.6490	0.000	1	110.6490	0.000	1	109.6059	5.471	8	109.4516	7.694	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.1840	0.000	1	112.1840	0.000	1	109.6059	5.471	8	109.4516	7.694	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]H)	104.5540	0.000	1	104.5540	0.000	1	104.5540	0.000	1	104.5540	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:S-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HS)(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(SC)(H)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HS)(C[5]O[5]O)(OH){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(SC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	108.4340	0.000	1	108.4340	0.000	1	108.4340	0.000	1	108.5888	2.575	5	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H){1|C<3>,1|H<1>,2|O<2>,6|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.2830	0.000	1	107.2830	0.000	1	107.2830	0.000	1	108.5888	2.575	5	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HO)(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HO)(C[5]O[5]O)(OH){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H){1|O<1>,1|O<2>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.0180	0.000	1	110.0180	0.000	1	109.0757	3.929	3	108.5888	2.575	5	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.4110	0.000	1	110.4110	0.000	1	109.0757	3.929	3	108.5888	2.575	5	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH){1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.7980	0.000	1	106.7980	0.000	1	109.0757	3.929	3	108.5888	2.575	5	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CH3)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	105.6260	0.000	1	105.6260	0.000	1	105.6260	0.000	1	105.6260	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H){2|C<3>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.7980	0.185	2	106.7980	0.034	2	106.7980	0.034	2	106.7980	0.034	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5a,6]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]O)(CH3)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]O)(CH3)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.5050	1.150	2	107.5050	1.322	2	107.5050	1.322	2	107.5050	1.322	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(O[6]C[6,6a])(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(O[6]C[6,6a])(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.5480	0.752	2	108.5480	0.566	2	108.5480	0.566	2	108.5480	0.566	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[3,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6,6]H)(H)2	O(C[5,6]C[3,5]C[5,6]C[6])(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(OH){2|C<4>,2|H<1>}	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6,6]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[3,5]C[5,6]C[6])(H)	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	108.4245	4.895	15	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]O)(H)2	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]O)(H)2{2|C<4>,2|O<2>,4|H<1>}	O(C[5,6]C[5,5]C[5,6]C[6])(H)	111.9180	0.000	1	111.9180	0.000	1	111.9180	0.000	1	108.4245	4.895	15	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]O)(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	108.9440	0.000	1	108.9440	0.000	1	106.6863	6.252	4	108.4245	4.895	15	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	105.9337	2.445	3	105.9337	5.979	3	106.6863	6.252	4	108.4245	4.895	15	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]O)(H)2	O(C[5,6]C[5,6]2C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2O)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	O(C[5,6]C[5,6]2C[6])(H)	106.2420	0.000	1	106.2420	0.000	1	106.2420	0.000	1	108.4245	4.895	15	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CC)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CC)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.0930	0.000	1	108.0930	0.000	1	109.4051	2.163	7	108.4245	4.895	15	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.5860	0.016	2	108.5860	0.000	2	109.4051	2.163	7	108.4245	4.895	15	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.9480	0.000	1	110.9480	0.000	1	109.4051	2.163	7	108.4245	4.895	15	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.9180	0.000	1	111.9180	0.000	1	109.4051	2.163	7	108.4245	4.895	15	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.8525	0.779	2	108.8525	0.606	2	109.4051	2.163	7	108.4245	4.895	15	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(N[6,6]C[6,6]C[6])(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.1730	0.000	1	108.1730	0.000	1	108.1730	0.000	1	108.4245	4.895	15	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(OH)(H)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	108.9120	0.000	1	108.9120	0.000	1	108.9120	0.000	1	107.8673	2.199	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(OH)(H){2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.1700	0.000	1	106.1700	0.000	1	106.1700	0.000	1	107.8673	2.199	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]O[6])(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]O[6])(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	107.8673	2.199	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]N[6]O)(CH3)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|N<3>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]N[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.8150	0.000	1	107.8150	0.000	1	108.9783	1.028	3	108.9783	1.028	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(CH3)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.5600	0.158	2	109.5600	0.025	2	108.9783	1.028	3	108.9783	1.028	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[3,5,6]C[5]C[6])(H)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<4>,6|H<1>}	C[6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	O(C[5,6]C[3,5,6]C[5]C[6])(H)	110.5680	0.932	2	110.5680	0.869	2	110.5680	0.869	2	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(H)2	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	109.3210	0.000	1	109.3210	0.000	1	107.7210	5.120	2	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,5,6]HH)(H)2	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	106.1210	0.000	1	106.1210	0.000	1	107.7210	5.120	2	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2{1|C<3>,5|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	110.8270	0.000	1	110.5470	0.157	2	110.5470	0.157	2	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2{1|C<3>,5|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	110.2670	0.000	1	110.5470	0.157	2	110.5470	0.157	2	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]N[6]HH)(H)2	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	O(C[5,6]C[5,5]C[5,6]C[6])(H)	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[5,6]HH)(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	106.0350	0.000	1	106.0350	0.000	1	107.2874	1.106	5	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]CO)(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]CO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	107.9815	0.013	2	107.9815	0.000	2	107.2874	1.106	5	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]HH)(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	106.2490	0.000	1	106.2490	0.000	1	107.2874	1.106	5	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	108.1900	0.000	1	108.1900	0.000	1	107.2874	1.106	5	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]2C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	O(C[5,6]C[5,6]2C[6])(H)	109.6833	2.403	3	109.6833	5.775	3	109.6833	5.775	3	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,2|H<1>,7|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	104.6590	0.055	3	104.1265	1.136	4	104.2256	0.901	5	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,3|H<1>,7|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	102.5290	0.000	1	104.1265	1.136	4	104.2256	0.901	5	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,7|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	104.6220	0.000	1	104.6220	0.000	1	104.2256	0.901	5	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.0170	0.000	1	111.0170	0.000	1	109.7856	2.190	25	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.0185	0.320	2	109.3043	4.191	7	109.7856	2.190	25	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.3190	0.000	1	109.3043	4.191	7	109.7856	2.190	25	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.1935	1.844	4	109.3043	4.191	7	109.7856	2.190	25	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.7050	0.000	2	111.2780	0.249	4	109.7856	2.190	25	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.8510	0.137	2	111.2780	0.249	4	109.7856	2.190	25	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.7860	1.377	2	107.7860	1.897	2	109.7856	2.190	25	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.5060	0.000	1	109.7485	0.118	2	109.7856	2.190	25	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.9910	0.000	1	109.7485	0.118	2	109.7856	2.190	25	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.5830	0.000	1	109.5830	0.000	1	109.7856	2.190	25	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]O[6]C)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]O[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.3275	0.415	2	110.3275	0.172	2	109.7856	2.190	25	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.8540	0.000	1	108.8540	0.000	1	109.7856	2.190	25	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.7110	0.465	2	109.7110	0.216	2	109.7856	2.190	25	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.2620	0.000	1	111.2620	0.000	1	109.7856	2.190	25	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.2675	0.009	2	109.2675	0.000	2	109.7856	2.190	25	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:P[5]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(P[5]C[5]OO)(OH)	C[6](C[5,6]C[5,6]P[5]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,6]C[6]P[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(P[5]C[5]OO)(OH){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]P[5]O)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]P[5])(H)	106.0250	0.000	1	106.0250	0.000	1	106.0250	0.000	1	108.7828	5.409	46	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(H)2	O(C[5,6]C[5,5]C[5,6]C[6])(CH3)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,5]C[5,6]C[6])(CH3)	112.4290	0.000	1	112.4290	0.000	1	112.4290	0.000	1	111.6420	2.039	4	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CN[6a]HH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC){1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	O(C[5,6]C[5,6]C[5]C[6])(CN[6a]HH)	113.2430	0.000	1	113.2430	0.000	1	111.3797	2.646	3	111.6420	2.039	4	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|N<3>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)	110.4480	0.288	2	110.4480	0.083	2	111.3797	2.646	3	111.6420	2.039	4	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	103.9320	0.000	1	103.9320	0.000	1	103.9320	0.000	1	109.3145	7.125	24	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.7897	2.701	3	109.7897	7.296	3	109.9531	4.073	20	109.3145	7.125	24	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.7257	0.830	3	110.8810	0.555	4	109.9531	4.073	20	109.3145	7.125	24	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.3470	0.000	1	110.8810	0.555	4	109.9531	4.073	20	109.3145	7.125	24	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.5112	0.838	6	111.5112	0.703	6	109.9531	4.073	20	109.3145	7.125	24	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.7130	0.000	1	106.7130	0.000	1	109.9531	4.073	20	109.3145	7.125	24	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.8865	0.648	2	108.8865	0.420	2	109.9531	4.073	20	109.3145	7.125	24	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.1110	0.000	1	108.6883	4.982	3	109.9531	4.073	20	109.3145	7.125	24	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.9770	0.004	2	108.6883	4.982	3	109.9531	4.073	20	109.3145	7.125	24	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.5510	0.000	1	106.5510	0.000	1	109.9531	4.073	20	109.3145	7.125	24	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[4,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH){4|C<4>,5|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H){1|O<2>,4|H<1>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.9020	0.000	1	108.9020	0.000	1	108.9020	0.000	1	109.3145	7.125	24	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H){1|O<2>,4|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.3500	0.000	1	109.3500	0.000	1	105.8260	24.837	2	109.3145	7.125	24	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H){1|C<3>,1|H<1>,2|O<2>,6|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	102.3020	0.000	1	102.3020	0.000	1	105.8260	24.837	2	109.3145	7.125	24	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(OH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO){1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(OH)	106.8080	0.000	1	106.8080	0.000	1	106.8080	0.000	1	106.8080	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(CC[6a]O)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.8890	0.000	1	111.8890	0.000	1	109.9182	8.360	5	109.2242	6.155	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.8320	0.000	1	111.8320	0.000	1	109.9182	8.360	5	109.2242	6.155	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]SiH)(CC[6a]O)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Si<4>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]SiH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.2490	0.000	1	111.2490	0.000	1	109.9182	8.360	5	109.2242	6.155	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(CHO)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(CHO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.6040	0.000	1	109.6040	0.000	1	109.9182	8.360	5	109.2242	6.155	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H){3|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	105.0170	0.000	1	105.0170	0.000	1	109.9182	8.360	5	109.2242	6.155	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.6425	2.556	2	108.7284	5.023	7	108.7284	5.023	7	109.2242	6.155	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.7628	2.428	5	108.7284	5.023	7	108.7284	5.023	7	109.2242	6.155	12	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:3:2:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.7150	0.010	2	108.7150	0.000	2	108.7150	0.000	2	108.7150	0.000	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:3:2:	4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[6]-3:O-2:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH)	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]2H)(OH)	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]2H)(OH){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C[6])(H)	108.0830	0.000	1	108.0830	0.000	1	108.0830	0.000	1	109.0015	1.687	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6,6]C[5,5]O)(C[6]C[6]HH)(CH3)(H)	O(C[5,6]C[5,6,6]C[5,5]C[6])(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[5,6]C[5,6,6]C[5,5]C[6])(H)	109.9200	0.000	1	109.9200	0.000	1	109.9200	0.000	1	109.0015	1.687	2	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]CO)(CH3)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]CO)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	107.4033	2.771	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	105.6500	0.000	1	107.3060	5.485	2	107.3060	5.485	2	107.4033	2.771	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5,6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.9620	0.000	1	107.3060	5.485	2	107.3060	5.485	2	107.4033	2.771	3	109.2366	5.876	261	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5]	C[3x6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[3x6]-4:C[5]-4:C[5]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH)	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]2O)	O(C[5]C[3x6]C[5]2)(H)	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH){3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]2O){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	O(C[5]C[3x6]C[5]2)(H)	106.4820	0.000	1	106.4820	0.000	1	106.4820	0.000	1	106.4820	0.000	1	106.4820	0.000	1	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5]-4:C[5]-4:O-2:	C[6,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2C)(C[5]C[5]2O)(CCHH)	O(C[5]C[6,6]C[5]2)(H)	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2C)(C[5]C[5]2O)(CCHH){1|C<3>,1|S<4>,5|C<4>,7|H<1>}	O(C[5]C[6,6]C[5]2)(H)	108.7225	0.844	2	108.7225	0.712	2	108.7225	0.712	2	108.7225	0.712	2	108.7225	0.712	2	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5]	C[6]	O	3:3:4:2:	4:4:4:1:	4:4:	C[5]-3:C[5]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2O)(H)	O(C[5]C[5]2C[6])(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC){2|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2O)(H){2|H<1>,3|C<3>,4|C<4>}	O(C[5]C[5]2C[6])(CH3)	105.3080	0.000	1	105.3080	0.000	1	105.3080	0.000	1	105.3080	0.000	1	108.2840	6.529	15	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5]	C[6]	O	3:4:3:2:	3:4:3:1:	4:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H)	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	O(C[5]C[5,6a]C[5]C[6])(H)	109.4545	2.065	2	109.4545	4.266	2	109.4545	4.266	2	109.4545	4.266	2	108.2840	6.529	15	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5]	C[6]	O	3:4:3:2:	4:3:2:1:	4:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5]-4:C[6]-3:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(OH)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)(O[6]C[6])(H)	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)(O[6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5]C[6])(H)	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	108.2840	6.529	15	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5]	C[6]	O	3:4:3:2:	4:4:3:1:	4:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(H)	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5]C[6])(H)	109.3670	0.000	1	109.3670	0.000	1	110.1723	0.487	3	110.1723	0.487	3	108.2840	6.529	15	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5]	C[6]	O	3:4:3:2:	4:4:3:1:	4:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5]C[6])(H)	110.5750	0.020	2	110.5750	0.000	2	110.1723	0.487	3	110.1723	0.487	3	108.2840	6.529	15	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5]	C[6]	O	3:4:3:2:	4:4:4:2:	4:1:	C[5,6a]-3:C[6]-4:N[5]-3:O-2:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2O)(N[5]C[5]C)(OH)	C[6](C[5]C[5,6a]N[5]O)(C[6]C[6]HH)2(OH)	O(C[5]C[5,6a]C[6]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2O)(N[5]C[5]C)(OH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5,6a]N[5]O)(C[6]C[6]HH)2(OH){2|C<4>,3|C<3>,4|H<1>}	O(C[5]C[5,6a]C[6]N[5])(H)	105.6770	1.305	2	105.6770	1.704	2	105.6770	1.704	2	105.6770	1.704	2	108.2840	6.529	15	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[5,6a]-3:C[6]-4:C[5]-4:O-2:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H)	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]C[5]C[6])(H)	106.7700	1.561	2	106.7700	2.438	2	105.6507	4.978	3	105.6507	4.978	3	108.2840	6.529	15	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[5,6a]-3:C[6]-4:C[5]-4:O-2:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H)	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]C[5]C[6])(H)	103.4120	0.000	1	103.4120	0.000	1	105.6507	4.978	3	105.6507	4.978	3	108.2840	6.529	15	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5]	C[6]	O	4:3:2:2:	3:4:4:1:	4:1:	C[6]-4:C[5]-3:O[5]-2:O-2:	C[6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H)	O(C[5]C[5]C[6]O[5])(H)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(OH){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	O(C[5]C[5]C[6]O[5])(H)	110.1190	0.000	1	110.1190	0.000	1	110.1190	0.000	1	110.1190	0.000	1	108.2840	6.529	15	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5]	C[6]	O	4:4:3:2:	4:4:4:2:	4:1:	C[5]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH)	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	O(C[5]C[5]2C[6])(H)	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH){1|Si<4>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	O(C[5]C[5]2C[6])(H)	109.5830	0.000	1	109.5830	0.000	1	109.5830	0.000	1	109.5830	0.000	1	108.2840	6.529	15	109.2200	6.066	416
474	466	893	0:SP3_SP3_SP3	C[5]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[5]-4:C[5]-4:O-2:	C[6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH)	C[6](C[6]C[6,6]HH)(C[5]C[5]2O)(O[6]C[6])(H)	O(C[5]C[5]2C[6])(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[5]C[5]2O)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>,3|O<2>}	O(C[5]C[5]2C[6])(H)	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	108.2840	6.529	15	109.2200	6.066	416
474	466	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	4:4:4:2:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:S-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]HH)(SC[6a])	C[6](C[5,6]C[5,5,6]C[5]S)(C[6]C[6]HH)(H)2	S(C[5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]HH)(SC[6a]){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]S)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	S(C[5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)	105.1675	0.562	2	105.1675	0.316	2	105.1675	0.316	2	107.3867	14.932	3	107.3867	14.932	3	107.3867	14.932	3
474	466	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:S-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(SC[6a])	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	S(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(SC[6a]){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	S(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)	111.8250	0.000	1	111.8250	0.000	1	111.8250	0.000	1	107.3867	14.932	3	107.3867	14.932	3	107.3867	14.932	3
474	466	909	0:SP3_SP3_SP3	C[5,6]	C[6]	S	4:2:4:2:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:S-2:	C[5,6]-4:C[6,6]-4:S-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[6]C[6,6]HS)(O[5,6]C[5,6])(C[5]C[5]HH)(SC)	C[6](C[5,6]O[5,6]C[5]S)(C[6,6]C[6,6]C[6]H)(SC)(H)	S(C[5,6]O[5,6]C[5]C[6])(CCHH)	C[5,6](C[6]C[6,6]HS)(O[5,6]C[5,6])(C[5]C[5]HH)(SC){3|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]S)(C[6,6]C[6,6]C[6]H)(SC)(H){1|C<3>,4|C<4>,4|H<1>}	S(C[5,6]O[5,6]C[5]C[6])(CCHH)	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	112.7255	4.871	4	112.7255	4.871	4
474	466	909	0:SP3_SP3_SP3	C[5,6]	C[6]	S	4:3:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-3:C[6]-4:S-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]HH)(SC)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	S(C[5,6]C[5,6]C[5]C[6])(CCHH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]HH)(SC){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	S(C[5,6]C[5,6]C[5]C[6])(CCHH)	111.6513	0.619	3	111.6513	0.384	3	111.6513	0.384	3	111.6513	0.384	3	112.7255	4.871	4	112.7255	4.871	4
474	466	914	0:SP3_SP2_SP3	C[5,6,6]	C[6]	N[6]	4:4:3:2:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:C[5]-3:N[6]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[6]2N[5])(C[6]C[6]HH)(C[5]C[5]O)(N[6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6]C[6]HH)(H)2	N[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6a]C[6])	C[5,6,6](C[5,6,6]C[6]2N[5])(C[6]C[6]HH)(C[5]C[5]O)(N[6]C[6]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6a]C[6]){1|N<2>,2|H<1>,2|O<1>,3|C<3>,3|C<4>}	106.5880	0.000	1	106.5880	0.000	1	106.5880	0.000	1	106.5880	0.000	1	106.5880	0.000	1	106.5880	0.000	1
474	466	914	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:4:3:2:	4:3:1:1:	4:3:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-2:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6])	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]N[5a,6]C[5a])(H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]N[5a,6]C[5a])(H)2{1|H<1>,1|N<3>,1|O<1>,2|N<2>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	114.2325	0.350	2	114.2325	0.123	2	114.2325	0.123	2	114.2325	0.123	2	114.2325	0.123	2	114.2325	0.123	2
474	466	924	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	Br	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:Br-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(Br)	C[6,6](C[5,6,6]C[5,3x6]C[5]Br)(C[3x6]C[6,6]2H)(H)2	Br(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]Br)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	Br(C[5,6,6]C[5,3x6]C[6,6]C[5])	112.5540	0.000	1	112.5540	0.000	1	112.5540	0.000	1	112.5540	0.000	1	112.5540	0.000	1	108.4751	10.408	8
474	466	924	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	Br	4:2:4:1:	4:3:1:1:	4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:Br-1:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(Br)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2	Br(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(Br){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	Br(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	101.5330	0.000	1	101.5330	0.000	1	101.5330	0.000	1	101.5330	0.000	1	101.5330	0.000	1	108.4751	10.408	8
474	466	924	0:SP3_SP-NON_SP3	C[5,6]	C[6]	Br	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:N[5]-2:Br-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5])(Br)	C[6](C[5,6]C[5,5,6]N[5]Br)(C[6]C[6]HH)(H)2	Br(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5])(Br){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]Br)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	Br(C[5,6]C[5,5,6]C[6]N[5])	107.4770	0.000	1	107.4770	0.000	1	107.4770	0.000	1	107.4770	0.000	1	108.9523	1.331	6	108.4751	10.408	8
474	466	924	0:SP3_SP-NON_SP3	C[5,6]	C[6]	Br	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:Br-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Br)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6,6]H)(H)2	Br(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Br){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	Br(C[5,6]C[5,6]C[5]C[6])	110.1770	0.000	1	110.1770	0.000	1	110.1770	0.000	1	110.1770	0.000	1	108.9523	1.331	6	108.4751	10.408	8
474	466	924	0:SP3_SP-NON_SP3	C[5,6]	C[6]	Br	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:Br-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(C[5]C[5]O)(Br)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(Br)(H)	Br(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(C[5]C[5]O)(Br){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(Br)(H){1|O<1>,3|C<4>,3|H<1>}	Br(C[5,6]C[5,6]C[5]C[6])	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	108.9523	1.331	6	108.4751	10.408	8
474	466	924	0:SP3_SP-NON_SP3	C[5,6]	C[6]	Br	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:Br-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br)	C[6](C[5,6]C[5,6,6]C[5]Br)(C[6]C[6]H)(H)2	Br(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]Br)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	Br(C[5,6]C[5,6,6]C[5]C[6])	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	108.9523	1.331	6	108.4751	10.408	8
474	466	924	0:SP3_SP-NON_SP3	C[5,6]	C[6]	Br	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:Br-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2	Br(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	Br(C[5,6]C[5,6]C[5]C[6])	108.2900	0.000	1	108.2900	0.000	1	109.3135	2.095	2	109.3135	2.095	2	108.9523	1.331	6	108.4751	10.408	8
474	466	924	0:SP3_SP-NON_SP3	C[5,6]	C[6]	Br	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:Br-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(Br)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2	Br(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(Br){1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	Br(C[5,6]C[5,6]C[5]C[6])	110.3370	0.000	1	110.3370	0.000	1	109.3135	2.095	2	109.3135	2.095	2	108.9523	1.331	6	108.4751	10.408	8
474	466	930	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C	4:3:4:3:	4:4:4:1:	4:2:1:	C[5,5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-3:	C[5,3x6]-4:C[6]-4:P[6]-4:H-1:	C[5,3x6]-4:O-2:O-1:	C[5,3x6](C[5,5,6,6]P[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6,6]C[6]P[6]H)(COO)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]CH)(P[6]O[6]CW)(H)	C(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])(OC)(O)	C[5,3x6](C[5,5,6,6]P[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6,6]C[6]P[6]H)(COO){2|C<3>,2|H<1>,2|O<2>,2|W<6>,3|C<4>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]CH)(P[6]O[6]CW)(H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])(OC)(O)	108.5540	0.000	1	108.5540	0.000	1	108.5540	0.000	1	108.5540	0.000	1	108.5540	0.000	1	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C-3:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(C[6]C[5,6]HH)(CCH)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(CHH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(C[6]C[5,6]HH)(CCH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,6|C<4>}	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(CHH)(H)	106.9230	0.000	1	106.9230	0.000	1	106.9230	0.000	1	106.9230	0.000	1	106.9230	0.000	1	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C	4:4:2:3:	3:4:3:1:	4:2:1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:C-3:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:O-2:O-1:	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H)	C(C[5,6,6]C[5,6,6]C[3x6]O[5])(OC)(O)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO){1|Br<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6,6]C[5,6,6]C[3x6]O[5])(OC)(O)	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C	4:2:2:3:	4:4:3:1:	4:1:1:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-3:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H)	C(C[5,6,6]C[6,6]O[5,6]2)(H)2	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH){1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<2>,3|C<4>}	C(C[5,6,6]C[6,6]O[5,6]2)(H)2	116.1190	0.000	1	116.1190	0.000	1	116.1190	0.000	1	116.1190	0.000	1	110.7270	10.953	6	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C	4:4:2:3:	4:4:1:1:	4:2:1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:C-3:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:O-2:O-1:	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6a])(COO)	C[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]2H)(H)2	C(C[5,6,6]C[5,3x6]C[6,6]O[5])(OC)(O)	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6a])(COO){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5,6,6]C[5,3x6]C[6,6]O[5])(OC)(O)	110.0025	0.555	2	110.0025	0.308	2	110.0025	0.308	2	110.0025	0.308	2	110.7270	10.953	6	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C	4:4:2:3:	4:4:1:1:	4:4:1:	C[5,6,6]-4:C[6,6]-4:O[5,6]-2:C-3:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C-4:O-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(O[5,6]N[5,6])(CCO)	C[6,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[6,6]C[6]2H)(H)2	C(C[5,6,6]C[5,6,6]C[6,6]O[5,6])(CH3)(O)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(O[5,6]N[5,6])(CCO){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[6,6]C[6]2H)(H)2{1|N<4>,2|C<4>,5|H<1>}	C(C[5,6,6]C[5,6,6]C[6,6]O[5,6])(CH3)(O)	112.9860	0.000	1	112.9860	0.000	1	112.9860	0.000	1	112.9860	0.000	1	110.7270	10.953	6	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C	4:4:4:3:	4:4:2:2:	4:2:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-3:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	C[5,6,6]-4:O-2:O-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]O)(COO)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH)	C(C[5,6,6]C[5,6]2C[6,6])(OC)(O)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]O)(COO){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH){3|H<1>,5|C<4>}	C(C[5,6,6]C[5,6]2C[6,6])(OC)(O)	107.6260	0.000	2	107.6260	0.000	2	107.6260	0.000	2	107.6260	0.000	2	110.7270	10.953	6	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C	4:3:4:3:	4:4:2:1:	4:2:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:O-2:O-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]O)(C[6]C[6]HO)(COO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(OC)(O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]O)(C[6]C[6]HO)(COO){2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(OC)(O)	108.5245	0.334	2	108.5245	0.112	2	108.5245	0.112	2	108.5245	0.112	2	109.1172	11.691	4	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C	4:3:4:3:	4:4:4:4:	4:4:1:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C-4:O-1:	C[5,6,6](C[5,5,3x6]C[5,3x6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(CCO)	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]CH)(CH3)2	C(C[5,6,6]C[5,5,3x6]C[5,6]C[6])(CCCH)(O)	C[5,6,6](C[5,5,3x6]C[5,3x6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(CCO){1|C<3>,1|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]CH)(CH3)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[5,6,6]C[5,5,3x6]C[5,6]C[6])(CCCH)(O)	113.8060	0.000	1	113.8060	0.000	1	113.8060	0.000	1	113.8060	0.000	1	109.1172	11.691	4	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C	4:4:4:3:	4:3:1:1:	4:1:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:O-1:O-1:	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(O)2	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO){3|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(O)2	105.6140	0.000	1	105.6140	0.000	1	105.6140	0.000	1	105.6140	0.000	1	109.1172	11.691	4	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C	3:4:4:3:	4:3:4:4:	4:4:3:	C[5,6]-3:C[6,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-3:C[6]-4:C[6]-4:	C[5,6]-4:C-4:C-3:	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2	C(C[5,6]C[5,6]C[6,6]C[5])(CH3)(CCH)	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC){2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(CH3)(CCH)	113.4920	0.000	1	113.2983	0.091	3	113.2983	0.091	3	113.2983	0.091	3	112.7822	4.175	6	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C	3:4:4:3:	4:3:4:4:	4:4:3:	C[5,6]-3:C[6,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-3:C[6]-4:C[6]-4:	C[5,6]-4:C-4:C-3:	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2	C(C[5,6]C[5,6]C[6,6]C[5])(CH3)(CCH)	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC){2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2{1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(CH3)(CCH)	113.2015	0.356	2	113.2983	0.091	3	113.2983	0.091	3	113.2983	0.091	3	112.7822	4.175	6	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C	4:2:4:3:	4:4:3:1:	4:4:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C-3:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(H)	C(C[5,6]C[6,6]O[5,6]C[5])(CH3)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(H){2|C<4>,2|N<3>,3|H<1>}	C(C[5,6]C[6,6]O[5,6]C[5])(CH3)(O)	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	112.7822	4.175	6	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C	4:2:4:3:	4:4:4:1:	4:4:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C-3:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)	C(C[5,6]C[6,6]O[5,6]C[5])(CH3)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C(C[5,6]C[6,6]O[5,6]C[5])(CH3)(O)	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	112.7822	4.175	6	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C	4:3:3:3:	4:3:4:4:	4:2:1:	C[6,6]-4:C[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:O-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)(COO)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(OC)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)(COO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(OC)(O)	115.2300	0.000	1	115.2300	0.000	1	115.2300	0.000	1	115.2300	0.000	1	112.7822	4.175	6	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	2:4:4:3:	4:4:3:2:	4:2:1:	O[5,6]-2:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:O-2:O-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]CO)(COO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi)	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]CO)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:2:4:3:	4:4:4:1:	4:2:1:	C[5,6]-3:O[5]-2:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(COO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CH3)(H)	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	C[5,6](C[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(COO){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,3|C<3>}	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	113.3820	0.000	1	113.3820	0.000	1	113.3820	0.000	1	113.3820	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:3:4:3:	4:3:1:1:	4:1:1:	C[5,6]-3:N[5]-3:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:H-1:O-1:	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6,6a]C)(H)2	C(C[5,6]C[5,6]C[6]N[5])(H)(O)	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6,6a]C)(H)2{1|C<4>,4|C<3>}	C(C[5,6]C[5,6]C[6]N[5])(H)(O)	113.1700	0.000	1	113.1700	0.000	1	113.1700	0.000	1	113.1700	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:N-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO)	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	C(C[5,6]C[5,6a]N[5,6]C[6])(NCH)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C(C[5,6]C[5,6a]N[5,6]C[6])(NCH)(O)	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:3:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CCH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CCH){1|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CHH)(H)	109.6310	0.109	2	109.6310	0.012	2	109.6310	0.012	2	109.6310	0.012	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:3:3:	4:3:1:1:	4:2:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C(C[5,6]C[5,6,6a]C[5]C[6])(OC)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5,6]C[5,6,6a]C[5]C[6])(OC)(O)	108.9700	0.000	1	108.9700	0.000	1	109.4920	0.545	2	109.4920	0.545	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:3:3:	4:3:1:1:	4:2:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]N[6a])(H)2	C(C[5,6]C[5,6,6a]C[5]C[6])(OC)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO){1|C<4>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]N[6a])(H)2{1|N<3>,1|O<1>,4|C<3>}	C(C[5,6]C[5,6,6a]C[5]C[6])(OC)(O)	110.0140	0.000	1	110.0140	0.000	1	109.4920	0.545	2	109.4920	0.545	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:3:3:	4:3:4:1:	4:2:1:	N[5,6]-3:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(COO)	C[6](C[5,6]N[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(COO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	112.0130	0.000	1	112.0130	0.000	1	112.0130	0.000	1	112.0130	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:3:3:	4:3:4:4:	4:1:1:	C[5,6]-3:C[6]-4:N[5]-3:C-3:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH)	C[6](C[5,6]C[5,6]N[5]C)(C[5,6]C[5,6]C[5])(CH3)2	C(C[5,6]C[5,6]C[6]N[5])(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH){2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]N[5]C)(C[5,6]C[5,6]C[5])(CH3)2{1|C<4>,3|O<2>,4|C<3>}	C(C[5,6]C[5,6]C[6]N[5])(H)2	112.1360	0.000	1	112.1360	0.000	1	112.1360	0.000	1	112.1360	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:4:3:	3:4:1:1:	4:2:1:	N[5,6]-3:C[6]-4:C[5]-4:C-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{2|C<4>,3|C<3>,3|H<1>}	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:4:3:	4:2:1:1:	4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:H-1:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]O[6]HH)(CHO)	C[6](C[5,6]C[5,6a]C[5,6]C)(O[6]C[6,6a])(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]O[6]HH)(CHO){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(O[6]C[6,6a])(H)2{1|N<3>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)(O)	110.4295	1.158	2	110.4295	1.340	2	110.4295	1.340	2	110.4295	1.340	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:4:3:	4:2:1:1:	4:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	109.8240	3.080	2	109.8240	9.487	2	109.8240	9.487	2	109.8240	9.487	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:4:3:	4:3:1:1:	4:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(COO){1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]CH)(H)2	C(C[5,6]C[5,6,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(OC)(O)	107.7230	0.000	1	107.7230	0.000	1	107.7230	0.000	1	110.2576	3.105	11	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6a]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6,6a]C[5]C[6])(OH)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	C(C[5,6]C[5,6,6a]C[5]C[6])(OH)(O)	111.7240	0.000	1	111.7240	0.000	1	111.7240	0.000	1	110.2576	3.105	11	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	109.7360	0.000	1	109.7360	0.000	1	110.2044	3.226	5	110.2576	3.105	11	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2{1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	110.8990	0.000	1	110.8990	0.000	1	110.2044	3.226	5	110.2576	3.105	11	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	107.3580	0.000	1	107.3580	0.000	1	110.2044	3.226	5	110.2576	3.105	11	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	111.5145	0.817	2	111.5145	0.667	2	110.2044	3.226	5	110.2576	3.105	11	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-3:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	109.1270	0.376	2	109.1270	0.142	2	109.1270	0.142	2	110.2576	3.105	11	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:2:1:	N[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	112.5010	0.000	1	112.5010	0.000	1	112.0555	0.397	2	110.2576	3.105	11	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:2:1:	N[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	111.6100	0.000	1	111.6100	0.000	1	112.0555	0.397	2	110.2576	3.105	11	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:4:1:	N[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:O-1:	C[5,6]-4:C-4:O-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CCO)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)(O)	C(C[5,6]N[5,6]C[5]C[6])(CCCH)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CCO){1|C<4>,8|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)(O){3|C<4>,4|H<1>}	C(C[5,6]N[5,6]C[5]C[6])(CCCH)(O)	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	3:4:4:3:	4:4:2:1:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(CCO)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(CCO){3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(O)	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:2:3:3:	4:3:3:1:	4:2:1:	C[6]-4:O[5,6]-2:C[5]-3:C-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(COO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(COO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	115.5380	0.000	1	115.5380	0.000	1	115.5380	0.000	1	115.5380	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:3:4:3:	3:4:1:1:	4:2:1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	105.9495	12.069	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:3:4:3:	3:4:1:1:	4:2:1:	C[5]-4:N[5,6]-3:C[6]-4:C-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{2|H<1>,3|C<3>,3|C<4>}	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	103.4930	0.000	1	103.4930	0.000	1	103.4930	0.000	1	105.9495	12.069	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:3:4:3:	3:4:1:1:	4:3:1:	C[5]-4:N[5,6]-3:C[6]-4:C-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N-3:O-1:	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	C(C[5,6]N[5,6]C[5]C[6])(NCH)(O)	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C(C[5,6]N[5,6]C[5]C[6])(NCH)(O)	109.3102	0.727	4	109.3102	0.529	4	109.3102	0.529	4	109.3102	0.529	4	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:3:4:3:	4:2:1:1:	4:3:1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]2)(H)	116.6810	0.000	1	116.6810	0.000	1	116.6810	0.000	1	116.6810	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:3:4:3:	4:2:2:1:	4:2:1:	C[5,6]-4:N[5]-3:C[6]-4:C-3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]N[5])(C[6]O[6]HO)(COO)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H)	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]N[5])(C[6]O[6]HO)(COO){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:3:4:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	108.2410	0.000	1	109.3175	2.318	2	109.3175	2.318	2	109.3175	2.318	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:3:4:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO){1|H<1>,1|S<2>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	110.3940	0.000	1	109.3175	2.318	2	109.3175	2.318	2	109.3175	2.318	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:3:4:3:	4:3:4:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)(H)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(O)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(CCO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CH3)(O)	110.5750	0.000	1	110.5750	0.000	1	110.5750	0.000	1	110.5750	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:	C[5,5,6,6]-4:N[5]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(N[5]C[5,6a]H)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[3x6]HH)(H)2	C(C[5,6]C[5,5,6,6]C[6]N[5])(O)2	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(N[5]C[5,6a]H)(C[6]C[6]HH)(COO){1|N<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C(C[5,6]C[5,5,6,6]C[6]N[5])(O)2	106.6570	0.000	1	106.6570	0.000	1	106.6570	0.000	1	106.6570	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:2:1:	C[5,5]-4:N[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)	C[6](C[5,6]C[5,5]N[5,6]C)(C[5,6]C[5,6]O[5]H)(H)2	C(C[5,6]C[5,5]N[5,6]C[6])(OC)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]C)(C[5,6]C[5,6]O[5]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[5,6]C[5,5]N[5,6]C[6])(OC)(O)	109.6550	0.000	1	109.6550	0.000	1	109.6550	0.000	1	109.4540	3.482	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]2C[6])(OH)(O)	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6]2C[6])(OH)(O)	108.3820	0.000	1	108.3820	0.000	1	108.6185	1.571	4	109.4540	3.482	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]2C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6]2C[6])(OC)(O)	110.1970	0.000	1	109.4700	1.057	2	108.6185	1.571	4	109.4540	3.482	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]2C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]2C[6])(OC)(O)	108.7430	0.000	1	109.4700	1.057	2	108.6185	1.571	4	109.4540	3.482	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]2C[6])(OH)(O)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6]2C[6])(OH)(O)	107.1520	0.000	1	107.1520	0.000	1	108.6185	1.571	4	109.4540	3.482	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:2:1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	112.5950	0.000	1	112.5950	0.000	1	112.5950	0.000	1	109.4540	3.482	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	3:4:3:1:	4:2:1:	C[6]-4:C[5,6]-4:N[5]-2:C-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]O[5]O[6]C)(N[5]C[5])(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H)	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]O[5]O[6]C)(N[5]C[5])(COO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	3:4:4:1:	4:3:2:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-3:O-2:	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H)	C(C[5,6]C[5,6]C[6]O[5])(CHH)(OC)	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO){1|H<1>,1|O<2>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(CHH)(OC)	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	4:2:1:1:	4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(O[5]C[5,6])(CCO)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	C(C[5,6]C[5,6]C[6]O[5])(CH3)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(O[5]C[5,6])(CCO){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)(O)	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	4:2:4:1:	4:2:1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O[6]-2:C-4:Cl-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]ClC)(O[5]C[5,6])(COO)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(Cl)	C(C[5,6]C[5,6,6]C[6]O[5])(OC)(O)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]ClC)(O[5]C[5,6])(COO){3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(Cl){2|O<2>,4|C<4>}	C(C[5,6]C[5,6,6]C[6]O[5])(OC)(O)	115.1660	0.000	1	115.1660	0.000	1	115.1660	0.000	1	115.1660	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	4:2:4:2:	4:2:1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O[6]-2:C-4:O-2:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CO)(O[5]C[5,6])(COO)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC)	C(C[5,6]C[5,6,6]C[6]O[5])(OC)(O)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CO)(O[5]C[5,6])(COO){3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC){2|O<2>,4|C<4>}	C(C[5,6]C[5,6,6]C[6]O[5])(OC)(O)	114.3370	0.000	1	114.3370	0.000	1	114.3370	0.000	1	114.3370	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	4:3:1:1:	4:3:1:	C[5,5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH)	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2	C(C[5,6]C[5,5,6,6]C[6]O[5])(CHH)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2{3|C<4>,3|H<1>}	C(C[5,6]C[5,5,6,6]C[6]O[5])(CHH)(H)	106.8630	0.000	1	106.8630	0.000	1	106.8630	0.000	1	106.8630	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]N[6]HH)(O[5]C[5,6])(CCO)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]S)(H)2	C(C[5,6]C[5,6]C[6]O[5])(CH3)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]N[6]HH)(O[5]C[5,6])(CCO){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]S)(H)2{2|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)(O)	107.1960	3.514	2	107.1960	12.350	2	107.1960	12.350	2	107.1960	12.350	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	4:3:4:1:	4:2:1:	C[5,6]-4:C[6]-4:N[5]-2:C-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5])(COO)	C[6](C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5])(COO){1|C<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	107.3540	0.000	1	107.3540	0.000	1	107.3540	0.000	1	109.9640	13.624	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	4:3:4:1:	4:2:1:	C[5,6]-4:C[6]-4:N[5]-2:C-3:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H)	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H){1|N<2>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	112.5740	0.000	1	112.5740	0.000	1	112.5740	0.000	1	109.9640	13.624	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:F-1:F-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	113.0035	0.015	2	112.1157	2.365	3	112.1157	2.365	3	112.5398	2.141	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:F-1:F-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|O<2>,2|C<3>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	110.3400	0.000	1	112.1157	2.365	3	112.1157	2.365	3	112.5398	2.141	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[6]O[5])(OH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(O)	112.9640	1.565	3	112.9640	2.449	3	112.9640	2.449	3	112.5398	2.141	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	4:4:2:1:	4:2:1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H)	C(C[5,6]C[5,6,6]C[6]O[5])(OC)(O)	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H){2|H<1>,4|C<4>}	C(C[5,6]C[5,6,6]C[6]O[5])(OC)(O)	112.9980	3.954	2	112.9980	15.635	2	112.9980	15.635	2	112.9980	15.635	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	4:4:2:1:	4:4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C-4:C-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(CHH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)(CHH)	110.4810	0.000	1	110.4810	0.000	1	110.4433	0.113	3	110.4433	0.113	3	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	4:4:2:1:	4:4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C-4:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(CHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)(CHH)	110.4245	0.473	2	110.4245	0.224	2	110.4433	0.113	3	110.4433	0.113	3	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:2:3:	4:4:4:1:	4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:H-1:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(CCHH)(H)	C(C[5,6]C[5,6]C[6]O[5])(H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHO){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)(O)	108.8170	0.000	1	108.8170	0.000	1	108.8170	0.000	1	108.8170	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:2:1:1:	4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:N-3:O-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(CNO)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(H)2	C(C[5,6]C[5,6]C[6]N[5])(NC[6a]H)(O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(CNO){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[5,6]C[5,6]C[6]N[5])(NC[6a]H)(O)	113.9760	0.000	1	113.9760	0.000	1	113.9760	0.000	1	113.9760	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:2:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:O[6]-2:C-3:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(COO)(H)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(COO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	107.0120	0.000	1	107.0120	0.000	1	107.0120	0.000	1	107.0120	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	111.3310	0.000	1	111.3310	0.000	1	109.7082	1.559	4	110.1507	2.486	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	109.1673	0.763	3	109.1673	0.583	3	109.7082	1.559	4	110.1507	2.486	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]C[5]H)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]C[5]H)(COO){1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	110.1507	2.486	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(CHN)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)2	C(C[5,6]C[5,6]C[6]N[5])(NN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(CHN){1|C<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(NN)(H)	112.6790	0.000	1	112.6790	0.000	1	112.6790	0.000	1	110.1507	2.486	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:3:2:1:	4:2:1:	C[3,5]-4:C[6]-4:N[5,6]-3:C-3:	C[5,6]-4:C[6a]-3:N[6]-2:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[3,5]N[3,5]C[3]C)(C[6]C[6a]N[6]H)(N[5,6]C[5,6]H)(COO)	C[6](C[5,6]C[3,5]N[5,6]C)(C[6a]C[6a]2)(N[6]C[6])(H)	C(C[5,6]C[3,5]N[5,6]C[6])(OC)(O)	C[5,6](C[3,5]N[3,5]C[3]C)(C[6]C[6a]N[6]H)(N[5,6]C[5,6]H)(COO){1|H<1>,5|C<3>}	C[6](C[5,6]C[3,5]N[5,6]C)(C[6a]C[6a]2)(N[6]C[6])(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C(C[5,6]C[3,5]N[5,6]C[6])(OC)(O)	111.4200	0.000	1	111.4200	0.000	1	111.4200	0.000	1	109.5485	7.005	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:3:2:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]O)(COO){1|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H){1|H<1>,1|O<1>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	107.6770	0.000	1	107.6770	0.000	1	107.6770	0.000	1	109.5485	7.005	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	106.8570	0.217	3	106.8570	0.047	3	106.8570	0.047	3	106.8570	0.047	3	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:3:3:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(O)	108.5710	0.000	1	108.5710	0.000	1	106.1875	2.721	4	106.1875	2.721	4	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:3:3:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(O)	105.3930	0.543	3	105.3930	0.294	3	106.1875	2.721	4	106.1875	2.721	4	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:4:1:1:	4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHH)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6,6]C[5]C[6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHH){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)2	108.6610	0.000	1	108.6610	0.000	1	108.6610	0.000	1	110.0403	1.427	3	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:4:1:1:	4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHO){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)(O)	110.7300	0.000	2	110.7300	0.000	2	110.7300	0.000	2	110.0403	1.427	3	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	112.5595	0.259	4	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	111.7970	0.000	1	111.7970	0.000	1	112.4597	0.329	3	112.5595	0.259	4	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(COO){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	112.7910	0.000	2	112.7910	0.000	2	112.4597	0.329	3	112.5595	0.259	4	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(CCH)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(CCH){1|C<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)	111.9200	0.000	1	111.9200	0.000	1	111.9200	0.000	1	111.9200	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CC[5]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5])(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CC[5]C){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5])(COO)	114.9150	0.000	1	114.9150	0.000	1	114.9150	0.000	1	114.9150	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(C[5]O[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(C[5]O[5]O)(COO){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	111.0560	1.092	2	111.0560	1.192	2	111.0560	1.192	2	111.0560	1.192	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:4:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(COO){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	111.3590	0.000	1	111.3590	0.000	1	111.3590	0.000	1	111.3590	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[3,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	109.8650	0.687	2	109.8650	0.472	2	109.8650	0.472	2	109.8650	0.472	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:4:3:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[3,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HH)(O)	106.3120	0.000	1	106.3120	0.000	1	106.3120	0.000	1	106.3120	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:4:4:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CC[5]HO)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CC[5]HO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HH)(O)	110.7130	0.000	1	110.7130	0.000	1	110.7130	0.000	1	108.6195	2.586	8	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:4:4:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[5,6]-4:C-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]O)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]O)(CCO){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(O)	109.9290	0.000	1	109.9290	0.000	1	108.3204	2.182	7	108.6195	2.586	8	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:4:4:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[5,6]-4:C-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3]C[6]H)(C[5]C[5]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3]C[6]H)(C[5]C[5]H)(CCO){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(O)	108.0523	1.420	6	108.0523	2.015	6	108.3204	2.182	7	108.6195	2.586	8	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:3:3:	4:4:4:3:	4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH)	C(C[5,6]C[5,6,6]C[5]C[6])(CCH)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(CCH)(H)	108.0580	0.000	1	108.0580	0.000	1	108.0580	0.000	1	108.0580	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	3:4:2:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]HH)(CCO){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(CH3)(O)	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:H-1:O-1:	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHO)	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2	C(C[5,6]C[5,5,6,6]C[5]C[6])(H)(O)	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHO){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,5,6,6]C[5]C[6])(H)(O)	106.1560	0.000	1	106.1560	0.000	1	106.1560	0.000	1	106.1560	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	109.9867	2.613	3	109.9867	6.828	3	110.3014	2.288	17	110.3876	2.645	20	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	110.0480	1.337	3	110.0480	1.787	3	110.3014	2.288	17	110.3876	2.645	20	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[4]C[5]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[4]C[5]H)(C[6]O[6]HH)(COO){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	108.8890	0.000	1	108.8890	0.000	1	110.3014	2.288	17	110.3876	2.645	20	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	110.6537	1.489	7	110.6537	2.217	7	110.3014	2.288	17	110.3876	2.645	20	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	110.5183	1.135	3	110.5183	1.288	3	110.3014	2.288	17	110.3876	2.645	20	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]S[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]S[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	109.7330	0.000	1	109.7330	0.000	1	110.8757	6.404	3	110.3876	2.645	20	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	111.4470	3.294	2	111.4470	10.848	2	110.8757	6.404	3	110.3876	2.645	20	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:2:2:1:	4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO)	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H)	C(C[5,6]C[5,6]2C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C(C[5,6]C[5,6]2C[6])(OC)(O)	107.4860	0.000	1	107.4860	0.000	1	107.4860	0.000	1	107.7120	0.102	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:2:2:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	107.9380	0.000	1	107.9380	0.000	1	107.9380	0.000	1	107.7120	0.102	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5,6]HH)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[3,5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C(C[5,6]C[3,5,6]C[5]C[6])(OC)(O)	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5,6]HH)(C[6]N[6]HH)(COO){1|S<4>,2|C<4>,3|C<3>}	C[6](C[5,6]C[3,5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[3,5,6]C[5]C[6])(OC)(O)	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	110.5262	4.036	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,5,6]C[6,6a]C[5,5]O[5])(C[5]C[5]HH)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C(C[5,6]C[5,5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,5,6]C[6,6a]C[5,5]O[5])(C[5]C[5]HH)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(OC)(O)	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	110.5262	4.036	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	111.1310	0.000	1	111.1310	0.000	1	110.7160	0.344	2	110.5262	4.036	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	110.3010	0.000	1	110.3010	0.000	1	110.7160	0.344	2	110.5262	4.036	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6a]C[6])(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]N[6]HH)(COO){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6a]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	113.2770	0.000	1	113.2770	0.000	1	112.5570	1.037	2	110.5262	4.036	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	111.8370	0.000	1	111.8370	0.000	1	112.5570	1.037	2	110.5262	4.036	6	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:3:2:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6,6]N[5,6,6]C[6]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(COO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C(C[5,6]C[5,6,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6,6]N[5,6,6]C[6]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(COO){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|N<3>,4|C<3>,6|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(OC)(O)	108.7560	0.000	1	108.7560	0.000	1	108.7560	0.000	1	108.7560	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:3:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(COO){3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:3:4:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(COO){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	112.1080	0.000	1	112.1080	0.000	1	112.1080	0.000	1	112.1080	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(H)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)(O)	107.7955	0.827	2	107.7955	0.683	2	107.7955	0.683	2	107.7955	0.683	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[3,5,6]C[3,6]C[3]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[3,5,6]C[5]C[6])(OC)(O)	C[5,6](C[3,5,6]C[3,6]C[3]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,9|H<1>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C(C[5,6]C[3,5,6]C[5]C[6])(OC)(O)	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C(C[5,6]C[5,5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(COO){2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[5,6]C[5,5,6]C[5]C[6])(OH)(O)	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(COO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5]C[6]N[5])(H)2	C(C[5,6]C[5,5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(COO){1|C<2>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5]C[6]N[5])(H)2{1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(OC)(O)	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(OC)(O)	110.8770	0.069	2	110.8770	0.005	2	110.8770	0.005	2	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]2C[6])(NN)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[5,6]C[5,6]2C[6])(NN)(H)	106.9670	1.174	4	106.9670	1.378	4	107.9040	5.423	5	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]2C[6])(NN)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]2C[6])(NN)(H)	111.6520	0.000	1	111.6520	0.000	1	107.9040	5.423	5	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]S)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]2C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]S)(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]2C[6])(OC)(O)	108.4650	0.480	3	108.4650	0.230	3	107.8997	2.399	6	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]2C[6])(OH)(O)	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO){4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]2C[6])(OH)(O)	107.9575	2.699	2	107.3343	4.807	3	107.8997	2.399	6	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]2C[6])(OH)(O)	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO){4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]2C[6])(OH)(O)	106.0880	0.000	1	107.3343	4.807	3	107.8997	2.399	6	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:C-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(C)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CCO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(C)	109.6780	0.000	1	109.6780	0.000	1	109.6780	0.000	1	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	111.5260	0.000	1	111.8855	0.258	2	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	112.2450	0.000	1	111.8855	0.258	2	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO){1|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	109.5520	0.000	1	109.8680	0.200	2	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO){4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	110.1840	0.000	1	109.8680	0.200	2	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[4]2O[5])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[4]2O[5])(C[6]C[6]HH)(COO){4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	110.0940	0.000	1	110.0940	0.000	1	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	108.5990	0.000	1	108.5990	0.000	1	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	110.5005	0.835	2	109.3142	1.426	9	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	110.2310	0.000	1	109.3142	1.426	9	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<2>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	109.7065	0.991	2	109.3142	1.426	9	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	108.8480	0.000	1	109.3142	1.426	9	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	108.1117	0.778	3	109.3142	1.426	9	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	111.1550	0.000	1	111.1550	0.000	1	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	112.3540	0.000	1	111.3710	0.789	3	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	110.8795	0.359	2	111.3710	0.789	3	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	109.2440	0.000	1	109.2440	0.000	1	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(COO){1|S<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	109.9230	0.337	2	109.9230	0.113	2	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)(COO){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	110.8383	0.154	3	110.8383	0.024	3	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	110.1210	0.000	1	109.8157	0.982	3	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	108.7080	0.000	1	109.8157	0.982	3	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	110.6180	0.000	1	109.8157	0.982	3	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	107.9910	0.322	2	107.9910	0.104	2	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	111.3300	0.000	1	111.3300	0.000	1	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	110.1780	0.000	1	110.1780	0.000	1	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	111.2680	0.000	1	111.2680	0.000	1	110.0335	1.570	33	109.5027	2.643	50	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	107.4020	0.000	1	107.4020	0.000	1	107.4020	0.000	1	107.8985	5.034	14	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH){1|C<2>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CHH)(H)	114.3550	0.000	1	114.3550	0.000	1	114.3550	0.000	1	107.8985	5.034	14	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N-3:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(CNO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(CNO){4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	106.9560	0.000	1	106.9560	0.000	1	107.4018	1.868	12	107.8985	5.034	14	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N-3:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CNO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CNO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	107.4424	1.426	11	107.4424	2.033	11	107.4018	1.868	12	107.8985	5.034	14	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CH3)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(CCO){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(CH3)(O)	107.9375	3.051	2	107.9375	9.310	2	107.9375	9.310	2	107.9375	9.310	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCC)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CH3)(CCH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCC){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CH3)(CCH)	107.9500	0.754	2	107.9500	0.568	2	107.9500	0.568	2	107.9500	0.568	2	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:H-1:O-1:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CHO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C(C[5,6]C[5,5,6]C[5]C[6])(H)(O)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CHO){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(H)(O)	107.2490	0.000	1	107.2490	0.000	1	107.2490	0.000	1	107.2490	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(COO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	105.4360	0.000	1	105.4360	0.000	1	105.4360	0.000	1	105.4360	0.000	1	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(COO){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	112.2140	0.000	1	112.2140	0.000	1	109.3404	4.359	5	109.3404	4.359	5	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5,6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H)	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(COO){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	108.6220	1.540	4	108.6220	2.372	4	109.3404	4.359	5	109.3404	4.359	5	109.6982	5.088	221	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5]	C[6]	C	3:4:3:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:C-3:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[5]-4:C-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(CCC)	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]C)(C[6]S[6]HH)(H)	C(C[5]C[5,6a]C[5]C[6])(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(CCC){1|S<2>,3|H<1>,5|C<3>}	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]C)(C[6]S[6]HH)(H){1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C[6])(CHH)(COO)	111.8670	0.000	1	111.8670	0.000	1	111.8670	0.000	1	111.8670	0.000	1	110.0302	3.040	9	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5]	C[6]	C	3:4:3:3:	4:4:4:1:	4:2:1:	B[5]-3:C[6]-4:C[5]-3:C-3:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:O-2:O-1:	C[5](B[5]C[6]N[5])(C[6]C[6]2H)(C[5]P[5]C)(COO)	C[6](C[5]B[5]C[5]C)(C[6]C[6]HH)2(H)	C(C[5]B[5]C[5]C[6])(OC)(O)	C[5](B[5]C[6]N[5])(C[6]C[6]2H)(C[5]P[5]C)(COO){3|C<3>,4|C<4>,5|H<1>}	C[6](C[5]B[5]C[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|P<4>,2|C<4>,4|H<1>}	C(C[5]B[5]C[5]C[6])(OC)(O)	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	110.0302	3.040	9	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5]	C[6]	C	3:4:4:3:	4:4:2:1:	4:2:1:	N[5,5]-3:C[6]-4:C[5]-4:C-3:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:O-2:O-1:	C[5](N[5,5]C[5,5]C[5])(C[6]C[6]O[6]H)(C[5]O[5]HH)(COO)	C[6](C[5]N[5,5]C[5]C)(C[6]C[6]HN)(O[6]C[6])(H)	C(C[5]N[5,5]C[5]C[6])(OC)(O)	C[5](N[5,5]C[5,5]C[5])(C[6]C[6]O[6]H)(C[5]O[5]HH)(COO){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[5]N[5,5]C[5]C)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[5]N[5,5]C[5]C[6])(OC)(O)	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	110.0302	3.040	9	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5]	C[6]	C	4:2:2:3:	4:4:4:1:	4:2:1:	C[6]-4:S[5]-2:S[5]-2:C-3:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:O-2:O-1:	C[5](C[6]C[6]2H)(S[5]C[5])2(COO)	C[6](C[6]C[6,6]HH)(C[5]S[5]2C)(C[6]C[6]CH)(H)	C(C[5]C[6]S[5]2)(OC)(O)	C[5](C[6]C[6]2H)(S[5]C[5])2(COO){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(C[5]S[5]2C)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[5]C[6]S[5]2)(OC)(O)	109.1400	0.000	1	109.1400	0.000	1	109.1400	0.000	1	109.1400	0.000	1	110.0302	3.040	9	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5]	C[6]	C	4:4:2:3:	3:4:3:1:	4:1:1:	C[6]-4:C[5]-4:O[5]-2:C-3:	C[5a,6]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:H-1:O-1:	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO)	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	C(C[5]C[5]C[6]O[5])(H)(O)	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	C(C[5]C[5]C[6]O[5])(H)(O)	107.6020	0.000	1	107.6020	0.000	1	107.6020	0.000	1	107.6020	0.000	1	110.0302	3.040	9	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5]	C[6]	C	4:4:3:3:	3:3:4:1:	4:2:1:	C[5]-4:C[6]-4:C[5]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]HH)(C[6]C[6,6a]2H)(C[5]C[5,6a]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2C)(H)	C(C[5]C[5]2C[6])(OC)(O)	C[5](C[5]C[5,6a]HH)(C[6]C[6,6a]2H)(C[5]C[5,6a]O)(COO){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2C)(H){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C(C[5]C[5]2C[6])(OC)(O)	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	110.0302	3.040	9	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5]	C[6]	C	4:4:3:3:	3:4:4:1:	4:2:1:	C[6]-4:C[5]-4:C[5]-3:C-3:	C[5a,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:O-2:O-1:	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[5]C[5]2C)(C[6]C[6]HH)(H)	C(C[5]C[5]2C[6])(OC)(O)	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5]C[5]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C(C[5]C[5]2C[6])(OC)(O)	109.3480	0.000	1	109.3480	0.000	1	109.3480	0.000	1	109.3480	0.000	1	110.0302	3.040	9	109.7836	5.352	249
474	466	930	0:SP3_SP2_SP3	C[5]	C[6]	C	4:4:4:3:	4:4:4:1:	4:2:1:	C[5]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:N-2:H-1:	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(CHN)	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C(C[5]C[5]2C[6])(NN)(H)	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(CHN){1|O<2>,4|C<4>,5|H<1>}	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,8|H<1>}	C(C[5]C[5]2C[6])(NN)(H)	110.1620	0.940	2	110.1620	0.884	2	110.1620	0.884	2	110.1620	0.884	2	110.0302	3.040	9	109.7836	5.352	249
474	466	941	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:2:2:	4:3:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:N-2:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC)	C[6](C[5,6]C[5,6]O[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	N(C[5,6]C[5,6]C[6]O[5])(CCC)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC){1|C<2>,1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]O[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	N(C[5,6]C[5,6]C[6]O[5])(CCC)	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1
474	466	944	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	I	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:I-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I)	C[6](C[5,6,6]C[5,6,6]C[5,6]I)(C[6,6]C[6,6]C[6]H)(H)2	I(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I){4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]I)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,4|C<4>,6|H<1>}	I(C[5,6,6]C[5,6,6]C[5,6]C[6])	105.0901	0.584	14	105.0901	0.341	14	105.0901	0.341	14	105.0901	0.341	14	105.0901	0.341	14	105.0901	0.341	14
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[3x6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6,6]-3:C[3x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	H(C[5,3x6]N[5,6,6]C[3x6]C[5,6])	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[5,3x6]N[5,6,6]C[3x6]C[5,6])	111.7250	0.520	3	111.7250	0.271	3	111.7250	0.271	3	111.7250	0.271	3	109.8388	3.309	17	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[3x6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H)	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	107.8654	0.625	5	109.8388	3.309	17	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[3x6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H){2|Cl<1>,2|H<1>,2|O<2>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	107.5855	0.558	4	107.5855	0.312	4	107.5855	0.312	4	107.8654	0.625	5	109.8388	3.309	17	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[3x6]	H	4:4:4:1:	4:3:3:3:	4:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:C-3:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O)	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	108.7250	0.000	1	108.7250	0.000	1	108.7250	0.000	1	108.7250	0.000	1	109.8388	3.309	17	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[3x6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H)	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	109.8388	3.309	17	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[3x6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:C-3:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O)	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,3|C<3>,7|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	109.8388	3.309	17	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	H(C[5,3x6]C[5,3x6]C[3x6]C[5,6])	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,3x6]C[5,3x6]C[3x6]C[5,6])	111.9480	0.000	1	110.8085	2.597	2	110.8085	2.597	2	111.2322	1.608	5	109.8388	3.309	17	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	H(C[5,3x6]C[5,3x6]C[3x6]C[5,6])	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,3x6]C[5,3x6]C[3x6]C[5,6])	109.6690	0.000	1	110.8085	2.597	2	110.8085	2.597	2	111.2322	1.608	5	109.8388	3.309	17	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	N[5,6,6]-4:C[3x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	H(C[5,3x6]N[5,6,6]C[3x6]C[5,6])	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5,3x6]N[5,6,6]C[3x6]C[5,6])	111.5147	1.272	3	111.5147	1.619	3	111.5147	1.619	3	111.2322	1.608	5	109.8388	3.309	17	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:N[5,6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,6a]C[5,6]2)(N[5,6]C[5]C[6]H)(C[3x6]C[6]3)(H)	C[3x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6]C[6]HH)3	H(C[5,3x6]C[5,5,6,6]C[3x6]N[5,6])	C[5,3x6](C[5,5,6,6]C[5,6a]C[5,6]2)(N[5,6]C[5]C[6]H)(C[3x6]C[6]3)(H){11|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[3x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6]C[6]HH)3{1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[5,3x6]C[5,5,6,6]C[3x6]N[5,6])	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	109.8388	3.309	17	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	3:4:4:1:	4:4:3:4:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H)	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])	110.3020	0.000	1	110.5897	0.107	4	110.5897	0.107	4	110.5897	0.107	4	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	3:4:4:1:	4:4:3:4:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H)	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])	110.6857	0.324	3	110.5897	0.107	4	110.5897	0.107	4	110.5897	0.107	4	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[4x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[4x6]C[6,6]2C[6])(H)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6,6a]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[5,3x6]C[5,5,6,6]C[5,6,6a]C[4x6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[4x6]C[6,6]2C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6,6a]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6a]C[4x6])	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H)	H(C[5,3x6]C[5,5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,3x6]C[5,5,6,6]C[4x6]C[5,6])	110.7790	0.280	2	110.7790	0.078	2	110.7790	0.078	2	110.7790	0.078	2	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	109.8470	0.103	2	109.8470	0.011	2	109.6393	0.129	7	109.6393	0.129	7	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	109.7680	0.000	1	109.5562	0.161	5	109.6393	0.129	7	109.6393	0.129	7	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<2>,2|O<1>,5|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	109.2850	0.091	3	109.5562	0.161	5	109.6393	0.129	7	109.6393	0.129	7	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<2>,2|O<1>,5|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	110.1580	0.000	1	109.5562	0.161	5	109.6393	0.129	7	109.6393	0.129	7	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[3x5,6,6]C[5,5,3x6]C[5,6a]C[5,5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[3x5,6,6]N[5,6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[5,3x6]C[3x5,6,6]C[4x6]N[5,6])	C[5,3x6](C[3x5,6,6]C[5,5,3x6]C[5,6a]C[5,5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[4x6](C[5,3x6]C[3x5,6,6]N[5,6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[5,3x6]C[3x5,6,6]C[4x6]N[5,6])	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	109.0547	0.946	4	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,4x6]C[5,6a]C[5,6])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,5,3x6]N[5,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[5,3x6]C[5,5,3x6]C[4x6]N[5,6])	C[5,3x6](C[5,5,3x6]C[5,4x6]C[5,6a]C[5,6])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[4x6](C[5,3x6]C[5,5,3x6]N[5,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,3x6]C[4x6]N[5,6])	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	109.0547	0.946	4	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5,6]C[5])(H)	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[5,6]HH)	H(C[5,3x6]C[5,5,6,6]C[4x6]N[5,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5,6]C[5])(H){10|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[5,6]HH){3|C<3>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,6,6]C[4x6]N[5,6])	110.2550	0.000	1	110.2550	0.000	1	109.4015	1.457	2	109.0547	0.946	4	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[5,3x6]C[5,5,6,6]C[4x6]N[5,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){12|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){2|C<3>,4|C<4>,5|H<1>}	H(C[5,3x6]C[5,5,6,6]C[4x6]N[5,6])	108.5480	0.000	1	108.5480	0.000	1	109.4015	1.457	2	109.0547	0.946	4	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:4:4:1:	4:3:4:4:	4:	C[4x6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[6,6a]-3:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	109.1250	0.000	1	109.1300	0.000	2	109.1300	0.000	2	109.1300	0.000	2	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:4:4:1:	4:3:4:4:	4:	C[4x6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[6,6a]-3:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	109.1350	0.000	1	109.1300	0.000	2	109.1300	0.000	2	109.1300	0.000	2	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,7|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H)	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[5,3x6]C[5,3x6]C[4x6]C[5,6])	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[5,3x6]C[5,3x6]C[4x6]C[5,6])	112.0415	0.035	2	112.0415	0.001	2	112.0415	0.001	2	112.0415	0.001	2	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[4x6]-4:C[3x6]-4:O-2:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H)	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH)	H(C[5,3x6]C[5,3x6]C[4x6]C[5,6])	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H){4|C<4>,8|H<1>}	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH){1|N<3>,6|H<1>,7|C<4>}	H(C[5,3x6]C[5,3x6]C[4x6]C[5,6])	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(C[4x6]C[6,6]3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(C[4x6]C[6,6]3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	109.5405	0.185	2	109.5405	0.034	2	109.5405	0.034	2	109.5405	0.034	2	109.9892	1.092	26	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,3x6]-4:N[5,6,6]-3:C[6,6]-4:H-1:	C[5,3x6]-4:C[6x6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]N[5,6,6]H)(C[6x6]C[4x6]2C[6,6])(H)2	H(C[5,3x6]C[5,3x6]N[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H){1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[5,3x6]C[5,3x6]N[5,6,6]H)(C[6x6]C[4x6]2C[6,6])(H)2{1|C<3>,5|H<1>,6|C<4>}	H(C[5,3x6]C[5,3x6]N[5,6,6]C[6,6])	110.3370	0.000	1	110.3370	0.000	1	110.3370	0.000	1	110.3370	0.000	1	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,3x6]C[5,4x6]N[5,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[5,3x6]C[5,4x6]C[6,6]N[5,6])	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])(H){1|O<2>,3|C<3>,7|H<1>}	C[6,6](C[5,3x6]C[5,4x6]N[5,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,3x6]C[5,4x6]C[6,6]N[5,6])	112.0640	0.000	1	112.0640	0.000	1	112.0640	0.000	1	112.0640	0.000	1	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:O[6,6]-2:O-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,3x6]C[5,6,6]2C[6,6])	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-3:C[6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,6,6]N[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,5,6,6]N[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){2|N<3>,3|H<1>,4|C<4>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	109.7580	1.874	2	109.7580	3.511	2	109.7580	3.511	2	109.7580	3.511	2	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-3:C-4:O-2:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,3x6]C[5,6,6]2C[6,6])	110.2420	0.000	1	110.2420	0.000	1	110.2420	0.000	1	110.2420	0.000	1	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]H)(C[5,3x6]C[3x5,3x6]C[4,3x5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,3x6]H)(C[6,6]C[5,5,3x6]HH)(H)2	H(C[5,3x6]C[4,5,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]H)(C[5,3x6]C[3x5,3x6]C[4,3x5,6]H)(C[6,6]C[6,6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,3x6]H)(C[6,6]C[5,5,3x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,3x6]C[4,5,5,6,6]C[5,3x6]C[6,6])	112.0420	0.000	1	112.0420	0.000	1	112.0420	0.000	1	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]C[6a]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[6,6]C[5,5,3x6]HH)(H)2	H(C[5,3x6]C[4,5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]C[6a]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[6,6]C[5,5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,3x6]C[4,5,5,6,6]C[5,6,6]C[6,6])	112.0340	0.000	1	112.0340	0.000	1	112.0340	0.000	1	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.0546	0.111	5	110.0546	0.012	5	110.0416	0.192	16	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.9465	0.825	2	110.4112	0.615	4	110.0416	0.192	16	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.8760	0.137	2	110.4112	0.615	4	110.0416	0.192	16	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.7504	0.025	5	109.8211	0.015	7	110.0416	0.192	16	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.9980	0.047	2	109.8211	0.015	7	110.0416	0.192	16	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,6,6]C[4,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[5,3x6]C[4,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,6,6]C[4,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,3x6]C[4,5,6,6]C[5,6,6]C[6,6])	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.2400	0.047	2	110.2262	0.013	4	110.0779	0.023	12	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.2125	0.187	2	110.2262	0.013	4	110.0779	0.023	12	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.0460	0.004	2	110.0460	0.000	2	110.0779	0.023	12	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.9390	0.143	3	109.9897	0.015	6	110.0779	0.023	12	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.9380	0.000	1	109.9897	0.015	6	110.0779	0.023	12	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.0915	0.063	2	109.9897	0.015	6	110.0779	0.023	12	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	110.0060	0.000	1	110.3745	0.272	2	110.0752	0.236	4	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	110.7430	0.000	1	110.3745	0.272	2	110.0752	0.236	4	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	109.5790	0.000	1	109.5790	0.000	1	110.0752	0.236	4	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[3x6]C[6]N[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[3x6]C[6]N[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	109.9730	0.000	1	109.9730	0.000	1	110.0752	0.236	4	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,3x6]C[5,3x6]C[5,4x6]C[6,6])	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|N<3>,5|C<4>}	C[6,6](C[5,3x6]C[5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,2|O<2>,7|C<4>}	H(C[5,3x6]C[5,3x6]C[5,4x6]C[6,6])	111.4390	0.000	1	111.4390	0.000	1	111.4390	0.000	1	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,3x6]C[5,4x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|H<1>,6|C<4>}	H(C[5,3x6]C[5,4x6]C[5,6,6]C[6,6])	111.1840	0.000	1	111.1840	0.000	1	111.1840	0.000	1	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[5,3x6]C[5,4x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,3x6]C[5,4x6]C[5,6,6]C[6,6])	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	105.5470	0.263	2	105.7717	0.186	3	105.8985	0.188	4	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,3|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	106.2210	0.000	1	105.7717	0.186	3	105.8985	0.188	4	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|N<3>,2|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	106.2790	0.000	1	106.2790	0.000	1	105.8985	0.188	4	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,3x6]C[5,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,3x6]C[6,6])	109.3940	0.037	2	109.3940	0.001	2	109.3940	0.001	2	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	111.4120	0.000	2	111.4120	0.000	2	111.4120	0.000	2	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[5,6]O[6]H)(H)2	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,1|O<2>,7|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[5,6]O[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	111.7700	0.000	1	111.7700	0.000	1	110.6187	1.009	3	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|F<1>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	109.9220	0.000	1	110.0430	0.029	2	110.6187	1.009	3	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|O<2>,2|F<1>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	110.1640	0.000	1	110.0430	0.029	2	110.6187	1.009	3	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|O<2>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.0860	0.000	1	111.0860	0.000	1	111.0860	0.000	1	109.9475	1.892	50	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H)	H(C[5,3x6]C[5,5,3x6]C[5,5x6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,9|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|C<3>,2|H<1>,6|C<4>}	H(C[5,3x6]C[5,5,3x6]C[5,5x6]C[6,6])	109.4650	0.000	2	109.4650	0.000	2	109.4650	0.000	2	109.8250	0.702	6	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	110.3630	0.952	2	110.3630	0.906	2	109.8167	1.348	3	109.8250	0.702	6	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	108.7240	0.000	1	108.7240	0.000	1	109.8167	1.348	3	109.8250	0.702	6	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	H(C[5,3x6]C[5,5,6]C[5,5x6]C[6,6])	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,3x6]C[5,5,6]C[5,5x6]C[6,6])	110.5700	0.000	1	110.5700	0.000	1	110.5700	0.000	1	109.8250	0.702	6	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[4,5,6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[4,5,6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	111.3583	0.230	3	111.3583	0.053	3	111.2607	0.037	6	110.7878	0.538	11	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	111.1050	0.048	2	111.1050	0.002	2	111.2607	0.037	6	110.7878	0.538	11	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,6]C[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,5,6]C[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	111.2790	0.000	1	111.2790	0.000	1	111.2607	0.037	6	110.7878	0.538	11	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,4x6]C[5,5,6,6]N[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)2(H)	H(C[5,3x6]C[5,5,4x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,4x6]C[5,5,6,6]N[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){5|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,4x6]C[5,6]C[6,6])	111.5560	0.000	1	111.5560	0.000	1	111.5560	0.000	1	110.7878	0.538	11	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]O)(C[6,6]C[6,6]CH)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a]H)(CH3)(H)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]O)(C[6,6]C[6,6]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a]H)(CH3)(H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	H(C[5,3x6]C[5,6,6]2C[6,6])	109.8865	0.058	4	109.8865	0.003	4	109.8865	0.003	4	110.7878	0.538	11	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	110.5722	0.249	4	110.5722	0.062	4	110.5722	0.062	4	110.5722	0.062	4	110.1278	1.542	77	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[6]	H	6:3:4:1:	4:4:1:1:	4:	B[3x3,4x5,15x6]-6:B[5,6,6]-3:C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](B[3x3,4x5,15x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,3x5,12x6]C[3x3,3x5,14x6]H)(B[5,6,6]B[3x3,4x5,14x6]O)(C[6]C[6]HH)(H)	C[6](C[5,3x6]B[3x3,4x5,15x6]B[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[5,3x6]B[3x3,4x5,15x6]B[5,6,6]C[6])	C[5,3x6](B[3x3,4x5,15x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,3x5,12x6]C[3x3,3x5,14x6]H)(B[5,6,6]B[3x3,4x5,14x6]O)(C[6]C[6]HH)(H){1|B<5>,1|C<4>,4|B<6>,6|H<1>}	C[6](C[5,3x6]B[3x3,4x5,15x6]B[5,6,6]H)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,1|O<2>,3|B<6>,3|H<1>}	H(C[5,3x6]B[3x3,4x5,15x6]B[5,6,6]C[6])	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[4x6]-4:H-1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[5,4x6]-4:	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H)	C[4x6](C[5,4x6]C[5,3x6]2H)(C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(H)	H(C[5,4x6]C[5,3x6]2C[4x6])	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,4x6]C[5,3x6]2H)(C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(H){2|Cl<1>,1|O<1>,4|C<4>,6|H<1>}	H(C[5,4x6]C[5,3x6]2C[4x6])	112.8230	0.000	1	112.8230	0.000	1	112.8230	0.000	1	112.8230	0.000	1	112.8230	0.000	1	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2	H(C[5,4x6]C[3x5,3x6]C[5,5,3x6]C[6,6])	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){2|C<4>,3|O<2>,5|H<1>}	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,4x6]C[3x5,3x6]C[5,5,3x6]C[6,6])	111.8710	0.000	1	111.8710	0.000	1	111.9295	0.007	2	111.9295	0.007	2	111.9295	0.007	2	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2	H(C[5,4x6]C[3x5,3x6]C[5,5,3x6]C[6,6])	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,4x6]C[3x5,3x6]C[5,5,3x6]C[6,6])	111.9880	0.000	1	111.9880	0.000	1	111.9295	0.007	2	111.9295	0.007	2	111.9295	0.007	2	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6,6]-4:C[3x5,3x6]-4:C[6,6]-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,3x6]C[4,3x5,6]C[5,3x6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]C[6,6])	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,3x6]C[4,3x5,6]C[5,3x6]H)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]C[6,6])	111.6950	0.000	1	111.6950	0.000	1	111.6950	0.000	1	111.5565	0.038	2	111.5565	0.038	2	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[6,6]-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[6,6])	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[6,6])	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	111.5565	0.038	2	111.5565	0.038	2	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[6,6]-4:H-1:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[3x5,6,6]2H)(H)2	H(C[5,5,6,6]C[3x5,6,6]2C[6,6])	C[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){2|H<1>,7|C<4>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[3x5,6,6]2H)(H)2{6|H<1>,7|C<4>}	H(C[5,5,6,6]C[3x5,6,6]2C[6,6])	112.5175	0.042	2	112.5175	0.002	2	112.5175	0.002	2	111.6553	0.251	9	111.6553	0.251	9	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-4:H-1:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2	H(C[5,5,6,6]C[5,5,6,6]2C[6,6])	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){2|H<1>,2|I<1>,3|C<4>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2{2|C<3>,5|C<4>,6|H<1>}	H(C[5,5,6,6]C[5,5,6,6]2C[6,6])	111.1720	0.000	1	111.4090	0.015	7	111.4090	0.015	7	111.6553	0.251	9	111.6553	0.251	9	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-4:H-1:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2	H(C[5,5,6,6]C[5,5,6,6]2C[6,6])	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){3|C<4>,4|H<1>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2{2|C<3>,5|C<4>,6|H<1>}	H(C[5,5,6,6]C[5,5,6,6]2C[6,6])	111.4485	0.073	6	111.4090	0.015	7	111.4090	0.015	7	111.6553	0.251	9	111.6553	0.251	9	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	C[5,5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]C[6]C)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	105.0700	0.000	1	105.0700	0.000	1	105.0700	0.000	1	105.0700	0.000	1	105.0700	0.000	1	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6,6]-4:N[5,5,6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5a,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(N[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)	C[6](C[5,5,6]C[5,5,6,6]N[5,5,6]H)(C[5a,6]C[5a,6a]C[5a,6])(H)2	H(C[5,5,6]C[5,5,6,6]N[5,5,6]C[6])	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(N[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H){4|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]N[5,5,6]H)(C[5a,6]C[5a,6a]C[5a,6])(H)2{1|N<3>,3|C<4>,4|C<3>}	H(C[5,5,6]C[5,5,6,6]N[5,5,6]C[6])	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	110.2127	0.244	7	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]O)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,5|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	110.2370	0.000	1	110.2370	0.000	1	110.2370	0.000	1	110.2370	0.000	1	110.2127	0.244	7	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[3,5,5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]O[5,5]O[6])(C[3,5,5]C[3,5,5]2C[6a])(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[3,5,5]C[3x5,6]H)(C[6]C[6]HH)(H)2	H(C[5,5,6]C[3,5,5]C[3x5,6]C[6])	C[5,5,6](C[3x5,6]C[5,5]O[5,5]O[6])(C[3,5,5]C[3,5,5]2C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,5,6]C[3,5,5]C[3x5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,5,6]C[3,5,5]C[3x5,6]C[6])	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	110.3750	0.158	5	110.2127	0.244	7	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,5]C[4,5]O[4,5]C)(C[5,5,6]C[4,5,5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[4,5,5]C[5,5,6]H)(C[6]C[6]HH)(H)2	H(C[5,5,6]C[4,5,5]C[5,5,6]C[6])	C[5,5,6](C[4,5,5]C[4,5]O[4,5]C)(C[5,5,6]C[4,5,5]C[6]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,5,6]C[4,5,5]C[5,5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,5,6]C[4,5,5]C[5,5,6]C[6])	110.4805	0.332	2	110.4805	0.110	2	110.4805	0.110	2	110.3750	0.158	5	110.2127	0.244	7	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]O[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[3x5,6,6]C[4x5,3x6]H)(C[6]C[5,6]HH)(H)2	H(C[5,5,6]C[3x5,6,6]C[4x5,3x6]C[6])	C[5,5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]O[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[5,5,6]C[3x5,6,6]C[4x5,3x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[5,5,6]C[3x5,6,6]C[4x5,3x6]C[6])	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	110.3750	0.158	5	110.2127	0.244	7	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<4>,2|C<2>,2|O<2>,5|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	110.3750	0.158	5	110.2127	0.244	7	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,5x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,4x6]-4:C[5,5,4x6]-4:C[6,6]-4:H-1:	C[5,5x6]-4:C[6,6]-4:H-1:H-1:	C[5,5x6]-4:	C[5,5x6](C[4,5,4x6]C[4,4,3x6]C[4,5,5,6]H)(C[5,5,4x6]C[4,5,4x6]C[5,5]C)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,5x6]C[4,5,4x6]C[5,5,4x6]H)(C[6,6]C[4,3x6]HH)(H)2	H(C[5,5x6]C[4,5,4x6]C[5,5,4x6]C[6,6])	C[5,5x6](C[4,5,4x6]C[4,4,3x6]C[4,5,5,6]H)(C[5,5,4x6]C[4,5,4x6]C[5,5]C)(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,5x6]C[4,5,4x6]C[5,5,4x6]H)(C[6,6]C[4,3x6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,5x6]C[4,5,4x6]C[5,5,4x6]C[6,6])	112.6770	0.000	1	112.6770	0.000	1	112.6770	0.000	1	112.6770	0.000	1	112.6770	0.000	1	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6,6]-3:C[5]-3:C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:3:2:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]O)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]O)(O[5,6]C[5,5,6])(H){1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,2|O<1>,3|C<4>,7|H<1>}	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	111.9910	0.000	1	111.9910	0.000	1	111.9910	0.000	1	111.9910	0.000	1	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	H(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(H){2|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|H<1>,2|C<2>,2|C<3>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	3:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.7430	0.296	2	110.7430	0.087	2	110.7430	0.087	2	110.9117	0.129	3	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	3:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:Br-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(Br)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(Br){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	111.2490	0.000	1	111.2490	0.000	1	111.2490	0.000	1	110.9117	0.129	3	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	3:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.4560	0.000	1	110.4560	0.000	1	110.4560	0.000	1	110.4560	0.000	1	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:O[6,6]-2:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(O[6,6]C[6,6])2(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(O[6,6]C[6,6])2(H){1|F<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	106.0753	8.953	3	106.0753	80.147	3	106.0753	80.147	3	106.0753	80.147	3	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:3:3:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.9430	0.250	2	110.9430	0.063	2	111.0320	0.055	3	111.0320	0.055	3	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:3:3:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	111.2100	0.000	1	111.2100	0.000	1	111.0320	0.055	3	111.0320	0.055	3	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]O)(C[3x6]C[6,6]O[6,6]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,5,6,6]O[5]H)(C[6,6]O[6,6]HH)(O[6,6]C[5,6,6])(H)	H(C[5,6,6]C[5,5,6,6]C[3x6]O[5])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]O)(C[3x6]C[6,6]O[6,6]H)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[5,6,6]C[5,5,6,6]O[5]H)(C[6,6]O[6,6]HH)(O[6,6]C[5,6,6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6,6]C[5,5,6,6]C[3x6]O[5])	110.1290	0.000	1	110.1290	0.000	1	110.1290	0.000	1	110.1290	0.000	1	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.5930	0.957	2	110.5930	0.917	2	110.1213	1.126	3	110.5870	1.035	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	109.1780	0.000	1	109.1780	0.000	1	110.1213	1.126	3	110.5870	1.035	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	113.3700	0.000	1	113.3700	0.000	1	110.7140	1.038	11	110.5870	1.035	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.4710	0.229	4	110.4710	0.052	4	110.7140	1.038	11	110.5870	1.035	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.7545	0.030	2	110.7545	0.001	2	110.7140	1.038	11	110.5870	1.035	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.4705	0.145	2	110.2728	0.715	4	110.7140	1.038	11	110.5870	1.035	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	109.0830	0.000	1	110.2728	0.715	4	110.7140	1.038	11	110.5870	1.035	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	111.0670	0.000	1	110.2728	0.715	4	110.7140	1.038	11	110.5870	1.035	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<4>,4|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	109.5065	0.346	2	109.5065	0.120	2	107.5048	22.149	5	107.5048	22.149	5	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,1|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	99.0980	0.000	1	99.0980	0.000	1	107.5048	22.149	5	107.5048	22.149	5	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	109.7065	0.308	2	109.7065	0.095	2	107.5048	22.149	5	107.5048	22.149	5	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:3:4:	4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	109.2785	0.170	2	109.2785	0.029	2	109.2785	0.029	2	109.6458	0.273	4	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.0130	0.501	2	110.0130	0.251	2	110.0130	0.251	2	109.6458	0.273	4	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){1|H<1>,7|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){10|H<1>,1|O<2>,5|C<4>}	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	111.3855	0.087	2	111.3893	0.004	3	111.3893	0.004	3	112.0061	3.003	12	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){1|H<1>,7|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){11|H<1>,5|C<4>}	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	111.3970	0.000	1	111.3893	0.004	3	111.3893	0.004	3	112.0061	3.003	12	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H)	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	111.4800	0.000	1	111.4800	0.000	1	111.5475	0.009	2	112.0061	3.003	12	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H)	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	111.6150	0.000	1	111.6150	0.000	1	111.5475	0.009	2	112.0061	3.003	12	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:O[5]-2:H-1:	C[4x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O[5]C[5])(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(C[6]C[6]CC)(H)	H(C[5,6,6]C[5,3x6]C[3x6]O[5])	C[5,6,6](C[5,3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O[5]C[5])(H){1|O<1>,7|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,3|O<2>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]O[5])	111.4495	0.125	4	111.4495	0.016	4	111.4495	0.016	4	112.0061	3.003	12	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|O<2>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	113.6707	3.306	3	113.6707	10.926	3	113.6707	10.926	3	112.0061	3.003	12	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	109.2850	0.000	1	109.2850	0.000	1	109.0744	0.058	5	109.2580	0.248	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	109.0217	0.242	4	109.0217	0.058	4	109.0744	0.058	5	109.2580	0.248	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H){1|Br<1>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.1760	0.000	1	110.1760	0.000	1	110.1760	0.000	1	109.2580	0.248	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:Br-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2Br)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(Br)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2Br)(C[5]N[5]O)(H){1|Br<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(Br){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9780	0.264	2	109.9780	0.070	2	109.9780	0.070	2	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.3740	0.000	1	109.9050	0.565	100	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.0170	0.000	1	109.9050	0.565	100	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.9550	0.054	2	109.9050	0.565	100	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<2>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.7100	0.000	1	109.9050	0.565	100	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|F<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2212	0.266	4	109.9050	0.565	100	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.0090	0.605	71	109.9050	0.565	100	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.1930	0.000	1	109.9050	0.565	100	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,1|P<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9480	0.000	1	109.9050	0.565	100	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9980	0.437	8	109.9050	0.565	100	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.5358	1.178	9	109.9050	0.565	100	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.0150	0.000	1	109.9050	0.565	100	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2870	0.000	2	109.7993	2.336	10	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.6145	0.047	2	109.7993	2.336	10	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.7500	2.125	4	109.7993	2.336	10	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.6370	0.000	1	109.7993	2.336	10	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|O<1>,1|P<2>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.5530	0.000	1	109.7993	2.336	10	109.8954	0.707	110	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[3x6]C[6,6,6a]2H)(N[5]C[5]C)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]N[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[3x6]C[6,6,6a]2H)(N[5]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]N[5]H)(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	110.7322	0.258	4	110.7322	0.067	4	110.7322	0.067	4	109.9257	0.696	116	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:2:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|O<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.5355	0.414	2	110.5355	0.171	2	110.2767	0.287	3	110.0910	0.296	5	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:2:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.7590	0.000	1	109.7590	0.000	1	110.2767	0.287	3	110.0910	0.296	5	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:2:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.3930	0.000	1	109.3930	0.000	1	109.8125	0.352	2	110.0910	0.296	5	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:2:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2320	0.000	1	110.2320	0.000	1	109.8125	0.352	2	110.0910	0.296	5	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:3:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(COO)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:4:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]C[5]2Fe)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|Fe<10>,1|O<1>,4|C<3>,4|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]C[5]2Fe){1|N<3>,1|O<1>,3|C<4>,5|C<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.1165	0.135	2	109.1165	0.018	2	109.5420	0.257	4	109.5044	0.191	17	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:4:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9675	0.170	2	109.9675	0.029	2	109.5420	0.257	4	109.5044	0.191	17	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHN)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHN){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.4597	0.348	3	109.4597	0.121	3	109.4928	0.189	13	109.5044	0.191	17	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.2755	0.064	2	109.4882	0.064	4	109.4928	0.189	13	109.5044	0.191	17	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.7010	0.088	2	109.4882	0.064	4	109.4928	0.189	13	109.5044	0.191	17	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CH3)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.6470	0.147	2	109.6470	0.022	2	109.4928	0.189	13	109.5044	0.191	17	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.6710	0.000	1	108.9905	0.926	2	109.4928	0.189	13	109.5044	0.191	17	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.3100	0.000	1	108.9905	0.926	2	109.4928	0.189	13	109.5044	0.191	17	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:3:4:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9000	0.000	2	109.9000	0.000	2	109.4928	0.189	13	109.5044	0.191	17	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.0590	0.000	1	110.0590	0.000	1	110.2108	0.076	8	110.2108	0.076	8	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2015	0.274	2	110.2324	0.084	7	110.2108	0.076	8	110.2108	0.076	8	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.4020	0.000	1	110.2324	0.084	7	110.2108	0.076	8	110.2108	0.076	8	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2055	0.362	4	110.2324	0.084	7	110.2108	0.076	8	110.2108	0.076	8	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,3x6]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.8545	1.112	2	109.8545	1.237	2	109.8545	1.237	2	109.7717	0.446	4	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|W<7>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.6890	0.272	2	109.6890	0.074	2	109.6890	0.074	2	109.7717	0.446	4	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	3:4:4:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3){1|C<4>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.3247	0.454	4	109.3247	0.206	4	109.3247	0.206	4	109.3247	0.206	4	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:3:2:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2045	0.047	2	110.2045	0.002	2	110.2045	0.002	2	110.0680	0.057	3	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	110.0680	0.057	3	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:3:2:3:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6a]C[6a]2)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9670	0.000	1	109.9670	0.000	1	109.9670	0.000	1	109.9670	0.000	1	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9930	0.426	2	109.9930	0.181	2	109.9930	0.181	2	109.5476	3.071	7	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.4280	0.000	1	110.4280	0.000	1	110.4280	0.000	1	109.5476	3.071	7	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:N[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.9580	0.000	1	110.9580	0.000	1	110.9580	0.000	1	109.5476	3.071	7	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.8190	0.000	1	109.8190	0.000	1	107.7565	8.508	2	109.5476	3.071	7	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	105.6940	0.000	1	105.6940	0.000	1	107.7565	8.508	2	109.5476	3.071	7	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(N[5]C[5]C)(H)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	109.5476	3.071	7	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:3:3:2:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.7165	0.056	2	109.7165	0.003	2	109.7165	0.003	2	109.7165	0.003	2	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:3:3:4:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.5335	0.255	4	109.4916	0.058	5	109.4916	0.058	5	109.4595	0.052	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:3:3:4:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.3240	0.000	1	109.4916	0.058	5	109.4916	0.058	5	109.4595	0.052	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(N[5]C[5]C)(H)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(CCHH)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(CCHH){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	109.4595	0.052	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:3:4:4:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.6410	0.000	1	109.6410	0.000	1	109.8015	0.052	2	109.8015	0.052	2	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:3:4:4:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9620	0.000	1	109.9620	0.000	1	109.8015	0.052	2	109.8015	0.052	2	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	110.0370	0.000	1	110.0370	0.000	1	109.6591	0.208	7	109.6022	0.204	8	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.1940	0.099	3	109.1940	0.010	3	109.6591	0.208	7	109.6022	0.204	8	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.9983	0.211	3	109.9983	0.045	3	109.6591	0.208	7	109.6022	0.204	8	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	109.2040	0.000	1	109.2040	0.000	1	109.2040	0.000	1	109.6022	0.204	8	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)2(C[6,6]N[6,6]Cl)(Cl)	H(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|Cl<1>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)2(C[6,6]N[6,6]Cl)(Cl){2|H<1>,3|C<4>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])	105.1885	0.680	2	105.1885	0.462	2	105.1885	0.462	2	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.7005	0.238	2	109.7005	0.057	2	110.1252	0.210	6	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.3375	0.388	4	110.3375	0.150	4	110.1252	0.210	6	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9840	0.000	1	110.2315	0.123	2	110.2315	0.123	2	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|N<3>,2|O<1>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.4790	0.000	1	110.2315	0.123	2	110.2315	0.123	2	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[4x6]C[5,6]H)(C[6,6]C[6,6]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[4x6]C[5,6]H)(C[6,6]C[6,6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.8340	0.000	1	110.8340	0.000	1	110.8340	0.000	1	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.8850	0.000	1	109.8850	0.000	1	110.3660	0.092	20	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.1917	0.321	8	110.2952	0.093	12	110.3660	0.092	20	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.5020	0.117	4	110.2952	0.093	12	110.3660	0.092	20	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.6370	0.000	1	110.6370	0.000	1	110.3660	0.092	20	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|O<1>,2|O<2>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.5627	0.216	4	110.5627	0.047	4	110.3660	0.092	20	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[5,6,6]C[6a])(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,1|S<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.5025	0.162	2	110.5025	0.026	2	110.3660	0.092	20	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:Si[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]Si[6,6]C[6,6]H)(C[5,6,6]C[5x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(Si[6,6]C[3x6]CC)(C[6,6]C[3x6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]Si[6,6]C[6,6]H)(C[5,6,6]C[5x6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(Si[6,6]C[3x6]CC)(C[6,6]C[3x6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.6660	0.000	1	110.6660	0.000	1	110.6660	0.000	1	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(H)	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:Br-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.8225	0.066	2	109.8225	0.004	2	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.5470	0.181	2	110.5215	0.030	4	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.4960	0.231	2	110.5215	0.030	4	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.4125	0.392	2	109.4125	0.154	2	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.3195	0.299	2	110.3195	0.089	2	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,1|W<7>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.1685	0.534	2	110.1685	0.285	2	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.7927	0.215	4	109.7927	0.046	4	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.4520	0.000	1	109.4520	0.000	1	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.6110	0.000	1	110.6110	0.000	1	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.5950	0.000	1	110.5950	0.000	1	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.1470	0.000	1	110.1470	0.000	1	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.4240	0.000	1	110.3677	0.014	3	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.3395	0.153	2	110.3677	0.014	3	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.3230	0.000	1	110.3230	0.000	1	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9810	0.000	1	109.9700	0.000	2	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9590	0.000	1	109.9700	0.000	2	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.1770	0.095	2	110.1770	0.009	2	110.1153	0.160	28	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(N[5]C[5,6a]H)(H)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(N[5]C[5,6a]H)(H){1|H<1>,2|O<2>,5|C<3>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	109.8530	0.000	1	109.8530	0.000	1	109.8355	0.001	2	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]N)(C[3x6]C[6,6]2H)(N[5]C[5,6a]S)(H)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]N)(C[3x6]C[6,6]2H)(N[5]C[5,6a]S)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	109.8180	0.000	1	109.8180	0.000	1	109.8355	0.001	2	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	106.9250	0.000	1	106.9250	0.000	1	106.9250	0.000	1	110.0200	1.070	65	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.4870	0.000	1	109.4870	0.000	1	109.7270	0.181	6	109.7270	0.181	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.2670	0.000	1	109.2670	0.000	1	109.7270	0.181	6	109.7270	0.181	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|W<7>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.5675	0.100	2	109.5675	0.010	2	109.7270	0.181	6	109.7270	0.181	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.4000	0.000	1	110.2365	0.053	2	109.7270	0.181	6	109.7270	0.181	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.0730	0.000	1	110.2365	0.053	2	109.7270	0.181	6	109.7270	0.181	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:3:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:N-3:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[3x6]H)(NCH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[3x6]H)(NCH){2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.1320	0.006	2	110.1320	0.000	2	110.1320	0.000	2	110.1320	0.000	2	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	106.9510	0.000	1	108.5333	2.100	3	109.1371	0.971	8	109.1371	0.971	8	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.3245	0.667	2	108.5333	2.100	3	109.1371	0.971	8	109.1371	0.971	8	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCCH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.4060	0.413	2	109.4060	0.171	2	109.1371	0.971	8	109.1371	0.971	8	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.2335	0.050	2	109.2335	0.003	2	109.1371	0.971	8	109.1371	0.971	8	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2180	0.000	1	110.2180	0.000	1	109.1371	0.971	8	109.1371	0.971	8	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]O[5]O[6])(H)	C[3x6](C[5,6,6]C[5,6]N[5,6]H)(C[3x6]C[6]3)(C[6]C[6]HH)(H)	H(C[5,6,6]C[3x6]C[5,6]N[5,6])	C[5,6,6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]O[5]O[6])(H){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6]N[5,6]H)(C[3x6]C[6]3)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,8|H<1>}	H(C[5,6,6]C[3x6]C[5,6]N[5,6])	108.3360	0.129	2	108.3360	0.017	2	108.3360	0.017	2	109.2987	0.580	10	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(N[5]C[5]C)(H)	C[3x6](C[5,6,6]C[5,3x6]N[5]H)(C[6,6]C[3x6]HH)2(H)	H(C[5,6,6]C[5,3x6]C[3x6]N[5])	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(N[5]C[5]C)(H){1|O<1>,2|C<4>,8|H<1>}	C[3x6](C[5,6,6]C[5,3x6]N[5]H)(C[6,6]C[3x6]HH)2(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,3x6]C[3x6]N[5])	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	109.2987	0.580	10	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.1450	0.000	1	110.1450	0.000	1	109.7453	0.085	7	109.2987	0.580	10	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.5165	0.459	2	109.5165	0.211	2	109.7453	0.085	7	109.2987	0.580	10	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.7597	0.104	4	109.7597	0.011	4	109.7453	0.085	7	109.2987	0.580	10	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]O)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]O)(C[5]O[5]O)(H){2|C<4>,2|O<2>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.9930	0.000	1	107.9930	0.000	1	107.9930	0.000	1	107.9930	0.000	1	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H){1|O<1>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.3095	0.217	2	109.3095	0.047	2	109.2320	0.070	9	109.2320	0.070	9	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.3547	0.282	4	109.2105	0.100	6	109.2320	0.070	9	109.2320	0.070	9	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.9220	0.109	2	109.2105	0.100	6	109.2320	0.070	9	109.2320	0.070	9	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.2060	0.000	1	109.2060	0.000	1	109.2320	0.070	9	109.2320	0.070	9	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	3:3:4:2:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.7620	0.164	2	108.7620	0.027	2	108.7620	0.027	2	108.7620	0.027	2	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:3:2:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H){1|Br<1>,3|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.2070	0.000	1	109.5017	0.091	3	109.7136	0.140	5	109.7113	0.112	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:3:2:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.6490	0.226	2	109.5017	0.091	3	109.7136	0.140	5	109.7113	0.112	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:3:2:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]Br)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]Br)(O[6,6]C[6,6])(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.1780	0.000	1	110.1780	0.000	1	109.7136	0.140	5	109.7113	0.112	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:3:2:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.8850	0.000	1	109.8850	0.000	1	109.7136	0.140	5	109.7113	0.112	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.7000	0.000	1	109.7000	0.000	1	109.7000	0.000	1	109.7113	0.112	6	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.9393	0.224	4	108.9393	0.050	4	108.9393	0.050	4	108.9393	0.050	4	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-2:Cl-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(N[6,6]C[6,6])(Cl)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(N[6,6]C[6,6])(Cl){1|Cl<1>,1|C<4>,4|C<3>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.3330	1.440	2	108.3330	2.073	2	108.3330	2.073	2	108.9963	0.514	15	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.0640	0.000	1	108.0640	0.000	1	108.0640	0.000	1	108.9963	0.514	15	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1	108.9963	0.514	15	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.5445	0.518	2	109.2620	0.374	3	109.0837	0.171	9	108.9963	0.514	15	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	108.6970	0.000	1	109.2620	0.374	3	109.0837	0.171	9	108.9963	0.514	15	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.2970	0.000	1	109.2970	0.000	1	109.0837	0.171	9	108.9963	0.514	15	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	108.8130	0.000	1	108.9150	0.021	2	109.0837	0.171	9	108.9963	0.514	15	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.0170	0.000	1	108.9150	0.021	2	109.0837	0.171	9	108.9963	0.514	15	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	108.5190	0.000	1	108.5190	0.000	1	109.0837	0.171	9	108.9963	0.514	15	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.3530	0.000	1	109.3530	0.000	1	109.0837	0.171	9	108.9963	0.514	15	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	108.9680	0.000	1	108.9680	0.000	1	109.0837	0.171	9	108.9963	0.514	15	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	109.0435	0.165	2	109.0435	0.027	2	109.0435	0.027	2	108.9963	0.514	15	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.8420	0.000	1	109.8420	0.000	1	108.5125	1.968	4	109.2896	0.935	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.2290	1.843	2	108.2290	3.396	2	108.5125	1.968	4	109.2896	0.935	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.7500	0.000	1	107.7500	0.000	1	108.5125	1.968	4	109.2896	0.935	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:Br-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9100	0.140	2	109.9100	0.020	2	109.9100	0.020	2	109.2896	0.935	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(H){2|C<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.1510	0.267	2	109.1510	0.071	2	109.2947	0.252	6	109.2896	0.935	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.2110	0.000	1	109.2110	0.000	1	109.2947	0.252	6	109.2896	0.935	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.9965	0.169	2	108.9965	0.029	2	109.2947	0.252	6	109.2896	0.935	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2620	0.000	1	110.2620	0.000	1	109.2947	0.252	6	109.2896	0.935	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5,6])	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5,6])	109.9980	0.000	1	110.2085	0.089	2	110.2085	0.089	2	109.2896	0.935	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5,6])	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5,6])	110.4190	0.000	1	110.2085	0.089	2	110.2085	0.089	2	109.2896	0.935	14	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH){1|N<3>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.5410	0.000	1	107.5410	0.000	1	107.5410	0.000	1	107.5410	0.000	1	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.2645	1.029	2	108.2645	1.059	2	108.2645	1.059	2	108.2775	1.532	11	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|Cl<1>,2|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.5050	0.000	1	109.2387	0.062	3	108.2803	1.782	9	108.2775	1.532	11	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|Cl<1>,2|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.1055	0.131	2	109.2387	0.062	3	108.2803	1.782	9	108.2775	1.532	11	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.1988	1.369	4	107.1988	1.874	4	108.2803	1.782	9	108.2775	1.532	11	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(CBrHH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(CBrHH){4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.1240	0.000	1	109.1240	0.000	1	108.2803	1.782	9	108.2775	1.532	11	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H){2|C<2>,3|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.8880	0.000	1	108.8880	0.000	1	108.2803	1.782	9	108.2775	1.532	11	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H)	H(C[5,6,6]C[3x6]C[5,6]2)	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H){1|H<1>,2|C<3>,5|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,2|C<4>,9|H<1>}	H(C[5,6,6]C[3x6]C[5,6]2)	112.0390	0.000	1	112.0390	0.000	1	112.0390	0.000	1	109.1932	6.909	5	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.9680	0.000	1	109.9680	0.000	1	109.9680	0.000	1	109.1932	6.909	5	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]2O[5])(H)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]2O[5])(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	109.5440	0.000	1	109.5440	0.000	1	109.5445	0.000	2	109.1932	6.909	5	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	109.5450	0.000	1	109.5450	0.000	1	109.5445	0.000	2	109.1932	6.909	5	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,3x6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5,5])	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H){10|H<1>,2|C<4>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5,5])	104.8700	0.000	1	104.8700	0.000	1	104.8700	0.000	1	109.1932	6.909	5	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.0750	0.000	1	108.0750	0.000	1	107.8510	0.100	2	107.8510	0.100	2	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.6270	0.000	1	107.6270	0.000	1	107.8510	0.100	2	107.8510	0.100	2	109.7356	1.958	401	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4x6]	H	4:4:2:1:	4:4:3:4:	4:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6a]O[6,6]H)(C[6,6]C[6,6]O)(C[6]C[5,6]HO)	H(C[5,6,6]C[5,6,6]C[4x6]O[5])	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6a]O[6,6]H)(C[6,6]C[6,6]O)(C[6]C[5,6]HO){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[4x6]O[5])	109.5810	0.000	1	109.5810	0.000	1	109.9346	0.060	5	109.9346	0.060	5	109.4649	0.296	15	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4x6]	H	4:4:2:1:	4:4:3:4:	4:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]C[4x6]O[5])	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,8|H<1>}	H(C[5,6,6]C[5,6,6]C[4x6]O[5])	110.0230	0.166	4	110.0230	0.027	4	109.9346	0.060	5	109.9346	0.060	5	109.4649	0.296	15	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4x6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,4x6]-4:C[4x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(O[5]C[5])(H)	C[4x6](C[5,6,6]C[5,4x6]O[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	H(C[5,6,6]C[5,4x6]C[4x6]O[5])	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[4x6](C[5,6,6]C[5,4x6]O[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,4x6]C[4x6]O[5])	108.7900	0.000	1	108.7900	0.000	1	108.7900	0.000	1	108.7900	0.000	1	109.4649	0.296	15	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4x6]	H	4:4:2:1:	4:4:4:3:	4:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[6]-4:C[6,6]-3:	C[5,6,6]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[5,6]O[6,6]H)(C[6]C[6,6a]HO)(C[6,6]C[6,6]O)	H(C[5,6,6]C[5,6,6]C[4x6]O[5])	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[5,6]O[6,6]H)(C[6]C[6,6a]HO)(C[6,6]C[6,6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[4x6]O[5])	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	109.4649	0.296	15	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4x6]	H	4:4:3:1:	4:3:3:4:	4:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[4x6]-3:C[6,6]-3:Si[6]-4:	C[5,6,6]-4:	C[5,6,6](C[4x6]C[4x6]C[6,6]Si[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC)	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	C[5,6,6](C[4x6]C[4x6]C[6,6]Si[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	109.4649	0.296	15	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4x6]	H	4:4:3:1:	4:4:3:4:	4:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	108.3870	0.000	1	109.0190	0.799	2	109.3407	0.405	4	109.3305	0.247	6	109.4649	0.296	15	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4x6]	H	4:4:3:1:	4:4:3:4:	4:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	109.6510	0.000	1	109.0190	0.799	2	109.3407	0.405	4	109.3305	0.247	6	109.4649	0.296	15	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4x6]	H	4:4:3:1:	4:4:3:4:	4:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	109.6625	0.056	2	109.6625	0.003	2	109.3407	0.405	4	109.3305	0.247	6	109.4649	0.296	15	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4x6]	H	4:4:3:1:	4:4:3:4:	4:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)2(C[3x6]C[6,6]C[6])(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)2(C[3x6]C[6,6]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|N<3>,2|O<1>,7|H<1>}	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	109.3100	0.134	2	109.3100	0.018	2	109.3100	0.018	2	109.3305	0.247	6	109.4649	0.296	15	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,4x6]-4:C[4x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]S)(H)	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	H(C[5,6,6]C[5,4x6]C[4x6]N[5])	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]S)(H){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|O<1>,1|S<4>,4|H<1>,6|C<4>}	H(C[5,6,6]C[5,4x6]C[4x6]N[5])	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	109.4649	0.296	15	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5x6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[3x6]-3:C[3x6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5x6]C[3x6]2C[6,6])(C[5]N[5]O)(H)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6])	H(C[5,6,6]C[5,6,6]C[5x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5x6]C[3x6]2C[6,6])(C[5]N[5]O)(H){1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6]){1|N<3>,1|O<1>,3|C<3>,5|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5x6]C[5])	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	109.3065	0.026	2	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[4x6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]N[6]H)(C[4x6]C[6,6]2H)(C[6]C[6]HO)	H(C[5,6,6]C[5,6,6]C[5x6]C[5])	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]N[6]H)(C[4x6]C[6,6]2H)(C[6]C[6]HO){1|O<2>,2|C<3>,6|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5x6]C[5])	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	109.3065	0.026	2	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6]-3:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]C[5])(N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]O[6]HH)(H)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[6,6a]C[5])(N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.5695	0.527	2	109.5695	0.278	2	109.5695	0.278	2	109.5695	0.278	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	3:4:4:1:	4:2:4:1:	4:	C[5,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:O[6]-2:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]N[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6,6a]N[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]O[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.0080	0.000	1	109.0080	0.000	1	109.0080	0.000	1	109.0080	0.000	1	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	3:4:4:1:	4:3:3:2:	4:	N[5,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2O)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2O)(H){1|H<1>,3|C<3>,3|O<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	107.1505	0.101	2	107.1505	0.010	2	107.1505	0.010	2	107.9930	2.135	3	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,3x6]-3:C[5,5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[5,5]C[5,6a]C[5]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,6,6]N[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]N[5,3x6]C[5,5]C[6,6])	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[5,5]C[5,6a]C[5]2)(C[6,6]C[3x6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]N[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[5,6,6]N[5,3x6]C[5,5]C[6,6])	109.6780	0.000	1	109.6780	0.000	1	109.6780	0.000	1	107.9930	2.135	3	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H)	H(C[5,6,6]N[5,6,6]C[5,6]C[6,6])	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]N[5,6,6]C[5,6]C[6,6])	111.2398	0.236	5	111.2398	0.056	5	111.2398	0.056	5	111.2398	0.056	5	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[5,6,6]C[5,6,6a]C[5,6]C[6,6])	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6a]C[5,6]C[6,6])	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	109.6455	1.643	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,3x6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CHHO)(H)	H(C[5,6,6]N[5,3x6]C[6,6]C[5])	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(C[5]C[5,5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]N[5,3x6]C[6,6]C[5])	110.5520	0.000	1	110.5520	0.000	1	110.5520	0.000	1	109.6455	1.643	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:3:2:2:	4:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[6]-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]H)(O[6]C[6])(OC)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]H)(O[6]C[6])(OC){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.0050	0.000	1	108.0050	0.000	1	108.0050	0.000	1	108.0050	0.000	1	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:N[5,5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2	H(C[5,6,6]C[5,5,6]N[5,5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2{2|O<2>,3|C<4>,4|C<3>}	H(C[5,6,6]C[5,5,6]N[5,5,6]C[6,6])	111.9180	0.000	1	111.0040	1.671	2	111.0040	1.671	2	111.0040	1.671	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:N[5,5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2	H(C[5,6,6]C[5,5,6]N[5,5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|O<2>,3|C<4>,4|C<3>}	H(C[5,6,6]C[5,5,6]N[5,5,6]C[6,6])	110.0900	0.000	1	111.0040	1.671	2	111.0040	1.671	2	111.0040	1.671	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]O[6]HH)(C[6]C[6]O)(H)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]O[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:3:3:	4:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(COO)	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	107.0500	0.000	1	107.0500	0.000	1	107.0500	0.000	1	107.0500	0.000	1	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,4|C<3>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|H<1>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.4030	0.000	1	109.4030	0.000	1	108.2116	0.529	5	108.4273	0.543	7	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HO)(C[6]C[6]H)(CCHH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HO)(C[6]C[6]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.9137	0.338	4	107.9137	0.114	4	108.2116	0.529	5	108.4273	0.543	7	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	108.4273	0.543	7	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	108.4273	0.543	7	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6,6]HH)2(H)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(H){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6,6]HH)2(H){2|C<3>,7|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	110.5300	0.000	1	110.5300	0.000	1	110.5300	0.000	1	109.7650	1.170	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[5]P[6])(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[5]P[6])(C[6,6]C[6]2H)(H){1|B<4>,1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H){1|P<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[5,6,6]C[5,6]2C[6,6])	109.0000	0.000	1	109.0000	0.000	1	109.0000	0.000	1	109.7650	1.170	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:4:2:	4:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H){11|H<1>,1|O<2>,2|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.3415	0.491	2	108.3415	0.242	2	108.3415	0.242	2	108.3415	0.242	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.5790	0.000	1	109.4000	0.064	2	108.4822	0.901	16	108.4822	0.901	16	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.2210	0.000	1	109.4000	0.064	2	108.4822	0.901	16	108.4822	0.901	16	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.6490	0.483	3	109.6490	0.233	3	108.4822	0.901	16	108.4822	0.901	16	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.8520	0.000	1	108.2848	0.448	4	108.4822	0.901	16	108.4822	0.901	16	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|I<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.0210	0.311	2	108.2848	0.448	4	108.4822	0.901	16	108.4822	0.901	16	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.2450	0.000	1	108.2848	0.448	4	108.4822	0.901	16	108.4822	0.901	16	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){11|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.9767	0.710	4	107.7515	0.496	6	108.4822	0.901	16	108.4822	0.901	16	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){11|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.7230	0.000	1	107.7515	0.496	6	108.4822	0.901	16	108.4822	0.901	16	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	106.8790	0.000	1	107.7515	0.496	6	108.4822	0.901	16	108.4822	0.901	16	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.3210	0.000	1	108.3210	0.000	1	108.4822	0.901	16	108.4822	0.901	16	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:3:3:1:	4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|H<1>,1|O<1>,5|C<4>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	111.0820	0.000	1	111.0820	0.000	1	111.0820	0.000	1	111.0820	0.000	1	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5,6]C)(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[6,6a]C[5,6]C)(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	111.0510	0.000	1	111.0510	0.000	1	111.0510	0.000	1	111.0510	0.000	1	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:Br-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(Br)(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(Br)(H){4|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	111.6410	0.000	1	111.6410	0.000	1	112.0987	0.216	3	109.5875	2.525	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:Br-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	112.0850	0.000	1	112.3275	0.118	2	112.0987	0.216	3	109.5875	2.525	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:Br-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	112.5700	0.000	1	112.3275	0.118	2	112.0987	0.216	3	109.5875	2.525	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]H)(H)2	H(C[5,6,6]C[5,5,6]C[6,6]O[5,6])	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H){2|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]H)(H)2{2|O<2>,6|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]O[5,6])	112.7820	0.000	1	112.7820	0.000	1	112.7820	0.000	1	109.5875	2.525	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	108.3525	0.176	2	108.2780	0.032	3	108.7622	0.166	13	109.5875	2.525	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	108.1290	0.000	1	108.2780	0.032	3	108.7622	0.166	13	109.5875	2.525	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	108.6730	0.010	2	108.8233	0.046	9	108.7622	0.166	13	109.5875	2.525	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	108.8663	0.228	7	108.8233	0.046	9	108.7622	0.166	13	109.5875	2.525	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]O)(C[6,6]C[4,6,6]HH)(O[5]C[5,6,6])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]O)(C[6,6]C[4,6,6]HH)(O[5]C[5,6,6])(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	109.6650	0.000	1	109.6650	0.000	1	108.7622	0.166	13	109.5875	2.525	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H){4|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	110.4483	0.027	3	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[6,6]C[6,6]O[6]H)(O[5,6]C[5,5,6])(H)	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[6,6]C[6,6]O[6]H)(O[5,6]C[5,5,6])(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])	110.4235	0.226	2	110.4235	0.051	2	110.4235	0.051	2	110.4483	0.027	3	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:H-1:	C[4,6,6]-4:C[5,6,6]-4:O-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H)	C[6,6](C[4,6,6]C[4,6]O[4,6]H)(C[5,6,6]C[5,4x6]O[5]H)(OC)2	H(C[5,6,6]C[5,4x6]C[6,6]O[5])	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]O[4,6]H)(C[5,6,6]C[5,4x6]O[5]H)(OC)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,4x6]C[6,6]O[5])	107.8310	0.000	1	107.8310	0.000	1	107.8310	0.000	1	107.8310	0.000	1	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	106.0700	0.000	1	106.0700	0.000	1	108.0452	1.368	6	108.4619	2.355	7	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	107.9310	0.299	3	107.9310	0.089	3	108.0452	1.368	6	108.4619	2.355	7	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|N<3>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	109.0720	0.000	1	109.2040	0.035	2	108.0452	1.368	6	108.4619	2.355	7	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|S<2>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	109.3360	0.000	1	109.2040	0.035	2	108.0452	1.368	6	108.4619	2.355	7	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H)	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	110.9620	0.000	1	110.9620	0.000	1	110.9620	0.000	1	108.4619	2.355	7	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	110.5590	0.000	1	110.5590	0.000	1	110.5590	0.000	1	110.2937	1.415	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	110.4480	0.238	2	110.4982	0.030	4	110.4982	0.030	4	110.2937	1.415	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	110.4380	0.000	1	110.4982	0.030	4	110.4982	0.030	4	110.2937	1.415	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	110.6590	0.000	1	110.4982	0.030	4	110.4982	0.030	4	110.2937	1.415	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	107.8570	0.000	1	107.8570	0.000	1	107.9950	0.038	2	110.2937	1.415	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	108.1330	0.000	1	108.1330	0.000	1	107.9950	0.038	2	110.2937	1.415	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H)	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H){1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H){4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	111.3990	0.000	1	111.3990	0.000	1	111.2587	0.020	3	110.2937	1.415	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H)	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H){1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H){4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	111.2640	0.000	1	111.2640	0.000	1	111.2587	0.020	3	110.2937	1.415	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H)	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	111.1130	0.000	1	111.1130	0.000	1	111.2587	0.020	3	110.2937	1.415	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	110.2937	1.415	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H){5|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.6100	0.137	2	107.6100	0.019	2	107.6100	0.019	2	107.6100	0.019	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5a,6]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	C[6,6](C[5a,6]C[5a,6]S[5a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,7|H<1>}	C[6,6](C[5a,6]C[5a,6]S[5a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.7820	0.000	1	107.7820	0.000	1	107.7820	0.000	1	107.8868	0.035	5	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.9130	0.204	4	107.9130	0.042	4	107.9130	0.042	4	107.8868	0.035	5	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]Br)(O[6]C[6])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]Br)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.4970	0.000	1	111.4970	0.000	1	111.4970	0.000	1	111.4970	0.000	1	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H){1|Br<1>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	111.4915	1.484	2	111.4915	2.203	2	111.4915	2.203	2	110.2127	2.956	4	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]Br)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]Br)(N[5,6]C[5]C[6])(H){3|C<3>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.1820	0.000	1	109.1820	0.000	1	108.9340	0.123	2	110.2127	2.956	4	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.6860	0.000	1	108.6860	0.000	1	108.9340	0.123	2	110.2127	2.956	4	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|O<2>,3|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.1000	0.000	1	109.1000	0.000	1	109.1000	0.000	1	108.9000	0.080	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:N[5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	108.9000	0.080	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	108.5247	1.054	3	108.5247	1.110	3	108.5247	1.110	3	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5,6]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5,6]O)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.3745	0.071	2	111.3745	0.005	2	109.5138	10.503	5	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	112.7650	0.000	1	112.7650	0.000	1	109.5138	10.503	5	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.0275	0.452	2	106.0275	0.204	2	109.5138	10.503	5	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(N[5]C[5]H)(H)	C[6,6](C[5,6,6]C[5,3x6]N[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]N[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(N[5]C[5]C)(H)	C[6,6](C[5,6,6]C[5,5,3x6]N[5]H)(C[3x6]C[5,6,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,5,3x6]C[6,6]N[5])	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]N[5]H)(C[3x6]C[5,6,6]C[6,6]H)(H)2{2|C<4>,2|H<1>,2|S<2>,3|C<3>}	H(C[5,6,6]C[5,5,3x6]C[6,6]N[5])	112.0970	0.000	1	112.0970	0.000	1	112.0970	0.000	1	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.2661	1.669	9	108.2330	2.487	10	108.5943	1.735	18	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<2>,6|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.9350	0.000	1	108.2330	2.487	10	108.5943	1.735	18	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.8365	0.037	2	109.0460	0.597	8	108.5943	1.735	18	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.4670	0.000	1	109.0460	0.597	8	108.5943	1.735	18	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.3950	0.000	1	109.0460	0.597	8	108.5943	1.735	18	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|N<3>,4|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{3|C<4>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.9913	0.135	3	109.0460	0.597	8	108.5943	1.735	18	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){2|Cl<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	110.8590	0.000	1	109.0460	0.597	8	108.5943	1.735	18	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.2600	0.000	1	109.2608	2.097	8	109.7674	1.855	14	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,1|S<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.1410	0.000	1	109.2608	2.097	8	109.7674	1.855	14	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|O<1>,6|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.5830	0.000	1	109.2608	2.097	8	109.7674	1.855	14	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.4520	0.076	2	109.2608	2.097	8	109.7674	1.855	14	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|O<1>,6|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.0660	1.631	3	109.2608	2.097	8	109.7674	1.855	14	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	112.0500	0.000	1	110.8850	0.621	4	109.7674	1.855	14	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.4740	0.000	1	110.8850	0.621	4	109.7674	1.855	14	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|O<1>,2|C<3>,4|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.5080	0.231	2	110.8850	0.621	4	109.7674	1.855	14	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[6,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.0220	0.000	1	110.0220	0.000	1	109.7674	1.855	14	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.0950	0.000	1	109.0950	0.000	1	109.7674	1.855	14	109.1891	2.907	42	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[3,6,6]N[6,6]C[5])(C[6,6]C[3x6]HO)(N[5]C[5]C)(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H)	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	C[5,6,6](C[5,3x6]C[3,6,6]N[6,6]C[5])(C[6,6]C[3x6]HO)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	108.2818	3.070	6	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]HO)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H)	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]HO)(C[5]O[5]O)(H){1|C<3>,2|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	106.9720	0.320	3	106.9720	0.102	3	106.9720	0.102	3	108.2818	3.070	6	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H)	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	111.1940	0.000	1	111.1940	0.000	1	111.1940	0.000	1	108.2818	3.070	6	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	108.2818	3.070	6	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[5]O)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	112.1815	0.042	2	112.1815	0.002	2	112.1815	0.002	2	112.3435	0.044	4	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	112.6170	0.000	1	112.6170	0.000	1	112.5055	0.025	2	112.3435	0.044	4	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	112.3940	0.000	1	112.3940	0.000	1	112.5055	0.025	2	112.3435	0.044	4	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[3,6,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	104.9255	0.337	2	104.9255	0.114	2	104.9255	0.114	2	104.9255	0.114	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H){2|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	109.8720	0.000	1	109.8720	0.000	1	111.6025	5.989	2	109.7162	0.822	67	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CCCH)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	113.3330	0.000	1	113.3330	0.000	1	111.6025	5.989	2	109.7162	0.822	67	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]CH)(N[5]C[5]C)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(CCCH)(H)	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(CCCH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	110.8510	0.000	1	110.8510	0.000	1	110.8510	0.000	1	109.7162	0.822	67	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(CCHH)(H)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(CCHH)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.1890	0.000	1	108.1890	0.000	1	108.1890	0.000	1	109.7162	0.822	67	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|N<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.8950	0.000	1	109.6626	0.602	63	109.6626	0.602	63	109.7162	0.822	67	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<4>,4|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.6453	1.566	9	109.6626	0.602	63	109.6626	0.602	63	109.7162	0.822	67	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<4>,4|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.6452	0.577	52	109.6626	0.602	63	109.6626	0.602	63	109.7162	0.822	67	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	110.4920	0.000	1	109.6626	0.602	63	109.6626	0.602	63	109.7162	0.822	67	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi){2|H<1>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	105.9200	0.000	1	105.9200	0.000	1	105.9200	0.000	1	108.5310	2.372	5	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(CCHH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(CCHH){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.4680	0.000	1	108.4680	0.000	1	109.1838	0.322	4	108.5310	2.372	5	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.5820	0.000	1	109.4223	0.141	3	109.1838	0.322	4	108.5310	2.372	5	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.3425	0.494	2	109.4223	0.141	3	109.1838	0.322	4	108.5310	2.372	5	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	3:4:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H){2|H<1>,2|O<2>,3|C<3>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	108.8005	0.593	2	108.8005	0.352	2	108.8005	0.352	2	108.8005	0.352	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,6]2C[6,6])	111.5970	0.000	1	111.5970	0.000	1	111.5970	0.000	1	108.6266	2.810	5	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	108.0480	0.000	1	107.8840	0.071	4	107.8840	0.071	4	108.6266	2.810	5	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.8293	0.297	3	107.8840	0.071	4	107.8840	0.071	4	108.6266	2.810	5	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-3:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.7423	0.316	3	109.7423	0.100	3	109.7423	0.100	3	108.8084	1.821	5	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.9280	0.000	1	107.9280	0.000	1	107.9280	0.000	1	108.8084	1.821	5	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H){1|Si<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,6]2C[6,6])	106.8870	0.000	1	106.8870	0.000	1	106.8870	0.000	1	108.8084	1.821	5	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:O[6]-2:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.0990	0.000	1	111.0990	0.000	1	110.9380	0.020	3	110.9380	0.020	3	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:O[6]-2:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]CC)(H)	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	110.8575	0.021	2	110.8575	0.000	2	110.9380	0.020	3	110.9380	0.020	3	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]O)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]O)(H)2{1|C<2>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	112.2035	0.431	2	112.2035	0.185	2	112.2035	0.185	2	112.2035	0.185	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	108.2406	0.135	7	108.2406	0.018	7	108.2406	0.018	7	108.2406	0.018	7	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H){1|N<4>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	108.4227	0.163	3	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	108.3730	0.000	1	108.3730	0.000	1	108.2095	0.053	2	108.4227	0.163	3	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	108.0460	0.000	1	108.0460	0.000	1	108.2095	0.053	2	108.4227	0.163	3	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.4023	0.260	4	109.2314	0.073	8	109.2237	0.065	9	109.2237	0.065	9	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.0605	0.162	4	109.2314	0.073	8	109.2237	0.065	9	109.2237	0.065	9	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,6]2C[6,6])	109.1620	0.000	1	109.1620	0.000	1	109.2237	0.065	9	109.2237	0.065	9	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,5,6,6]C[4,5,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[4,5,6,6]C[5]H)(C[6,6]C[4,5,6,6]HO)(H)2	H(C[5,6,6]C[4,5,6,6]C[6,6]C[5])	C[5,6,6](C[4,5,6,6]C[4,5,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[4,5,6,6]C[5]H)(C[6,6]C[4,5,6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[4,5,6,6]C[6,6]C[5])	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{2|F<1>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.6910	0.000	1	111.6910	0.000	1	111.0618	0.671	4	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|F<1>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.6480	0.000	1	111.6480	0.000	1	111.0618	0.671	4	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HO)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	109.9370	0.000	1	109.9370	0.000	1	111.0618	0.671	4	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.9710	0.000	1	110.9710	0.000	1	111.0618	0.671	4	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.5860	0.000	1	110.5860	0.000	1	107.0240	9.516	3	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]CC)(H)	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]CC)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|N<3>,1|O<1>,2|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	105.2430	0.000	2	105.2430	0.000	2	107.0240	9.516	3	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	105.8960	0.000	1	106.0888	0.486	4	106.2190	0.449	5	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.7210	0.000	1	106.0888	0.486	4	106.2190	0.449	5	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.5490	0.000	1	106.0888	0.486	4	106.2190	0.449	5	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,8|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	105.1890	0.000	1	106.0888	0.486	4	106.2190	0.449	5	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.7400	0.000	1	106.7400	0.000	1	106.2190	0.449	5	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.4350	0.000	1	111.4350	0.000	1	109.8753	2.766	20	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.4352	0.193	4	110.4352	0.037	4	109.8753	2.766	20	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]Cl)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]Cl)(H)2{1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.1090	1.602	2	111.1090	2.567	2	109.8753	2.766	20	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.8280	0.000	1	111.8280	0.000	1	109.8753	2.766	20	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	108.0710	0.000	1	108.2540	0.067	2	109.8753	2.766	20	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	108.4370	0.000	1	108.2540	0.067	2	109.8753	2.766	20	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]CH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	109.8655	0.240	2	109.8655	0.057	2	109.8753	2.766	20	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	109.5490	0.000	1	108.0307	1.730	3	109.8753	2.766	20	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.2715	0.037	2	108.0307	1.730	3	109.8753	2.766	20	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.7270	0.000	1	107.7270	0.000	1	109.8753	2.766	20	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2O)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2O)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.3390	0.000	1	107.3390	0.000	1	109.8753	2.766	20	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]CH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.6287	0.079	3	111.6287	0.006	3	109.8753	2.766	20	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[5x6]HH)(C[5]C[5]CC)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[5x6]C[5,4x6]C[6,6]2)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[5x6]HH)(C[5]C[5]CC)(H){1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[5x6]C[5,4x6]C[6,6]2)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	105.0290	0.000	1	105.0290	0.000	1	105.0290	0.000	1	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:S[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H)	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]S[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,3x6]C[6,6]S[5])	111.1670	0.000	1	111.3407	0.056	3	111.3407	0.056	3	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:S[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H)	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]S[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,3|O<1>}	H(C[5,6,6]C[5,3x6]C[6,6]S[5])	111.4275	0.258	2	111.3407	0.056	3	111.3407	0.056	3	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	111.3650	0.000	1	111.3650	0.000	1	111.3650	0.000	1	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2{1|H<1>,1|O<1>,3|O<2>,4|C<4>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.8765	0.254	2	110.8765	0.064	2	111.0227	0.096	3	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,5,3x6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,5,3x6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2{1|H<1>,4|C<4>,5|O<2>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	111.3150	0.000	1	111.3150	0.000	1	111.0227	0.096	3	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.9130	0.000	1	110.9130	0.000	1	110.6256	0.019	8	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.6030	0.000	1	110.5918	0.008	6	110.6256	0.019	8	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.5335	0.132	2	110.5918	0.008	6	110.6256	0.019	8	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<4>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.6590	0.000	1	110.5918	0.008	6	110.6256	0.019	8	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,3|O<2>,4|C<4>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.6110	0.100	2	110.5918	0.008	6	110.6256	0.019	8	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(H)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,4|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.5410	0.000	1	110.5410	0.000	1	110.6256	0.019	8	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,3|C<4>,4|O<2>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:Br-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H)	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(Br)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H){5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(Br)(H){5|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6,6])	111.1560	0.000	1	111.1560	0.000	1	111.1560	0.000	1	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	111.5330	0.000	1	111.5330	0.000	1	111.5025	0.002	2	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	111.4720	0.000	1	111.4720	0.000	1	111.5025	0.002	2	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:N[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.6756	0.537	53	108.6756	0.288	53	108.6756	0.288	53	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6]N[5]C)(C[5,6]N[5,6]HH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6]N[5]C)(C[5,6]N[5,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[3x6]C[6,6]2H)(H)2{2|N<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	112.1010	0.000	2	112.1010	0.000	2	112.1010	0.000	2	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[5,6,6]C[5,6]2H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|C<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2C)(C[5,6,6]C[5,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.3100	0.000	1	107.3100	0.000	1	109.8326	7.663	7	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3x5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)2(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3x5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	112.0570	0.160	2	112.0570	0.026	2	109.8326	7.663	7	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)2(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	106.6800	0.429	2	109.3510	9.589	4	109.8326	7.663	7	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)2(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	112.0220	0.212	2	109.3510	9.589	4	109.8326	7.663	7	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.6800	0.000	1	111.6800	0.000	1	109.8940	1.821	8	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)2(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]N[6]2C)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)2(C[6,6]C[6,6]HH)(H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]N[6]2C)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6]2C[6,6])	108.9220	0.162	5	108.9220	0.026	5	109.8940	1.821	8	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2{3|C<4>,7|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.4650	0.000	1	111.4310	0.002	2	109.8940	1.821	8	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2{2|C<4>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.3970	0.000	1	111.4310	0.002	2	109.8940	1.821	8	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]2H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H){2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]2H)(H)2{2|O<2>,5|H<1>,6|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	111.2990	0.000	1	111.2990	0.000	1	111.2990	0.000	1	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[5,6,6]N[5,3x6]C[6,6]C[5])	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H){2|C<3>,2|C<4>,9|H<1>}	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[5,6,6]N[5,3x6]C[6,6]C[5])	107.7760	0.000	1	107.7760	0.000	1	107.7760	0.000	1	109.3485	2.844	125	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H)	H(C[5,6,6]C[5,4x6]C[5,6]C[6,6])	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H){1|Cl<1>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,4x6]C[5,6]C[6,6])	110.7050	0.000	1	110.7050	0.000	1	110.7050	0.000	1	112.1877	2.230	4	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	113.4645	0.293	2	113.4645	0.086	2	112.6820	1.880	3	112.1877	2.230	4	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H)	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H){1|O<2>,1|S<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	111.1170	0.000	1	111.1170	0.000	1	112.6820	1.880	3	112.1877	2.230	4	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H){1|O<2>,2|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){3|H<1>,7|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	103.6235	0.114	2	103.6235	0.013	2	103.6235	0.013	2	103.6235	0.013	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.2280	0.000	1	111.2280	0.000	1	109.3740	6.875	2	109.0450	4.875	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.5200	0.000	1	107.5200	0.000	1	109.3740	6.875	2	109.0450	4.875	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H)	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]C[5]H)(CCH)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]C[5]H)(CCH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	112.0370	0.000	1	112.0370	0.000	1	112.0370	0.000	1	109.0450	4.875	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]N[5,5]CH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]N[5,5]CH)(H){2|H<1>,6|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.1630	0.000	1	111.1630	0.000	1	111.1630	0.000	1	109.0450	4.875	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H){1|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	106.5477	0.445	3	106.5477	0.198	3	106.5477	0.198	3	109.0450	4.875	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.9910	0.000	1	110.9910	0.000	1	110.9910	0.000	1	109.0450	4.875	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|I<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	110.8030	0.000	1	110.8030	0.000	1	110.8030	0.000	1	109.0450	4.875	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.6860	0.000	1	107.6860	0.000	1	107.6860	0.000	1	109.0450	4.875	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H){1|F<1>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	109.0450	4.875	11	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(C[6]O[6]O)(CC)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(C[6]O[6]O)(CC){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	107.4010	0.000	1	107.4010	0.000	1	107.4010	0.000	1	107.4010	0.000	1	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(COO)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H){1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6,6]C[5,6]2C[6,6])	110.8990	0.000	1	110.8990	0.000	1	110.8990	0.000	1	110.8990	0.000	1	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH){5|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	102.4860	0.000	1	102.4860	0.000	1	105.4105	17.105	2	105.4105	17.105	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	108.3350	0.000	1	108.3350	0.000	1	105.4105	17.105	2	105.4105	17.105	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2H)(H){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.2750	0.000	1	111.2750	0.000	1	111.2750	0.000	1	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.6520	0.000	1	107.6520	0.000	1	107.6520	0.000	1	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]BrH)(H)	H(C[5,6,6]C[5,5,6,6]C[6,6]C[5])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|Br<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]BrH)(H){1|Br<1>,5|C<4>,7|H<1>}	H(C[5,6,6]C[5,5,6,6]C[6,6]C[5])	110.2670	0.000	1	110.2670	0.000	1	110.2670	0.000	1	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	107.3217	0.164	4	107.3217	0.027	4	108.3190	4.993	5	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5]N[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5]N[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(H){1|N<2>,1|O<1>,3|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	112.3080	0.000	1	112.3080	0.000	1	108.3190	4.993	5	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H){4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	112.1950	0.000	1	112.1950	0.000	1	112.1950	0.000	1	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|O<2>,8|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	107.1140	0.000	1	107.1140	0.000	1	109.8317	3.371	6	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	107.8510	0.000	1	109.4115	4.870	2	109.8317	3.371	6	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.9720	0.000	1	109.4115	4.870	2	109.8317	3.371	6	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	111.0177	0.110	3	111.0177	0.012	3	109.8317	3.371	6	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.9210	0.000	1	110.9210	0.000	1	110.9210	0.000	1	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,6|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.5680	0.000	1	110.1115	0.064	10	110.1115	0.064	10	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){7|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.0608	0.208	9	110.1115	0.064	10	110.1115	0.064	10	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3x5,6]CC)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3x5,6]CC)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H){4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	112.0880	0.000	1	112.0880	0.000	1	112.0880	0.000	1	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){11|H<1>,1|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	108.8470	0.000	1	108.8470	0.000	1	107.0343	2.506	9	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){2|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	104.6770	0.035	2	104.6770	0.001	2	107.0343	2.506	9	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){10|H<1>,1|C<3>,1|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	106.5390	0.000	1	107.8990	3.699	2	107.0343	2.506	9	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){10|H<1>,1|C<3>,1|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	109.2590	0.000	1	107.8990	3.699	2	107.0343	2.506	9	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.4800	0.000	1	107.3275	0.037	4	107.0343	2.506	9	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.3800	0.127	2	107.3275	0.037	4	107.0343	2.506	9	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.0700	0.000	1	107.3275	0.037	4	107.0343	2.506	9	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(C[6]C[5a,6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(C[6]C[5a,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	106.9780	0.000	1	106.9780	0.000	1	106.9780	0.000	1	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	112.0190	0.000	1	112.0190	0.000	1	112.0190	0.000	1	109.1685	4.195	38	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC){4|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	110.1635	0.192	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.9760	0.024	4	109.9760	0.001	4	110.0756	0.064	16	110.1635	0.192	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	110.0160	0.000	1	110.0160	0.000	1	110.0756	0.064	16	110.1635	0.192	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.3200	0.000	1	110.0839	0.137	7	110.0756	0.064	16	110.1635	0.192	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	110.2320	0.000	1	110.0839	0.137	7	110.0756	0.064	16	110.1635	0.192	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	110.2070	0.186	5	110.0839	0.137	7	110.0756	0.064	16	110.1635	0.192	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	110.2740	0.000	2	110.2740	0.000	2	110.0756	0.064	16	110.1635	0.192	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH){1|N<4>,3|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.9800	0.000	1	109.9800	0.000	1	110.0756	0.064	16	110.1635	0.192	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,4|C<4>,4|H<1>,4|O<2>}	H(C[5,6,6]C[5,6]2C[6,6])	110.1740	0.000	1	110.1740	0.000	1	110.0756	0.064	16	110.1635	0.192	17	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6,6]-4:C-4:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(C[5]C[5]HH)(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(CH3)(CHO)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(CH3)(CHO){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.1430	0.240	2	110.1430	0.058	2	110.1430	0.058	2	110.1430	0.058	2	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.1340	0.000	1	111.1340	0.000	1	111.0484	0.128	12	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.4500	0.065	4	111.4500	0.004	4	111.0484	0.128	12	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.6953	0.260	4	110.7677	0.053	6	111.0484	0.128	12	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.9070	0.000	1	110.7677	0.053	6	111.0484	0.128	12	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<4>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,4|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.9180	0.000	1	110.7677	0.053	6	111.0484	0.128	12	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.0410	0.000	1	111.0410	0.000	1	111.0484	0.128	12	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[5,6,6]C[5,3x6]C[5,6]C[6,6])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,4|O<2>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]C[6,6])	107.1070	0.000	1	107.4790	0.277	2	107.4790	0.277	2	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[5,6,6]C[5,3x6]C[5,6]C[6,6])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){2|C<4>,3|C<3>,4|O<2>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]C[6,6])	107.8510	0.000	1	107.4790	0.277	2	107.4790	0.277	2	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.9880	0.000	1	107.7265	1.091	2	107.7265	1.091	2	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	108.4650	0.000	1	107.7265	1.091	2	107.7265	1.091	2	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CH3)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CH3)2{1|Cl<1>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){2|O<2>,5|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	106.4517	0.232	3	106.4517	0.054	3	106.6153	0.143	4	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H){10|H<1>,1|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	107.1060	0.000	1	107.1060	0.000	1	106.6153	0.143	4	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	104.7987	0.327	3	104.7987	0.107	3	107.0320	28.069	8	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	119.5240	0.000	1	119.5240	0.000	1	107.0320	28.069	8	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	104.1705	0.060	2	104.1705	0.004	2	107.0320	28.069	8	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	104.8910	0.000	1	104.8910	0.000	1	107.0320	28.069	8	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6,6]C[5,6]2C[6,6])	109.1040	0.000	1	109.1040	0.000	1	107.0320	28.069	8	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	108.7930	0.000	1	108.7930	0.000	1	108.7930	0.000	1	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[4x6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,5|C<4>,6|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.5070	0.106	2	109.5070	0.011	2	109.2450	0.212	3	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[4x6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,7|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	108.7210	0.000	1	108.7210	0.000	1	109.2450	0.212	3	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.5960	0.000	1	106.4155	20.231	2	106.4155	20.231	2	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	103.2350	0.000	1	106.4155	20.231	2	106.4155	20.231	2	108.6306	10.150	35	109.2856	3.326	502	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]CH)(H)2	H(C[5,6,6]C[5,6,6]N[5,6,6]C[6])	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]CH)(H)2{1|I<1>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]N[5,6,6]C[6])	110.2159	0.424	16	110.2159	0.180	16	110.2159	0.180	16	110.2159	0.180	16	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]H)(OH)(H)	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	108.9595	0.056	2	108.9595	0.003	2	108.9595	0.003	2	108.9595	0.003	2	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(O[5,6]C[5,5,3x6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(O[5,6]C[5,5,3x6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	107.6360	0.000	1	107.6360	0.000	1	108.5240	1.577	2	108.5240	1.577	2	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(O[5,6]C[5,5,6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(O[5,6]C[5,5,6])(C[6]C[6]HH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	109.4120	0.000	1	109.4120	0.000	1	108.5240	1.577	2	108.5240	1.577	2	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	108.1515	0.359	2	108.1515	0.129	2	108.1515	0.129	2	108.1515	0.129	2	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]N[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]S)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	111.4530	0.000	1	111.4530	0.000	1	111.4530	0.000	1	111.4530	0.000	1	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[5,5,6,6]-4:N[5,6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6,6]N[5,6,6]H)(C[6]C[6]H)(OH)(H)	H(C[5,6,6]C[5,5,6,6]N[5,6,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]N[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6,6]C[5,5,6,6]N[5,6,6]C[6])	108.4350	0.158	2	108.4350	0.025	2	108.4350	0.025	2	108.4350	0.025	2	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]O)(CH3)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]O)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	111.7870	0.000	1	111.7870	0.000	1	106.1619	5.182	8	106.1619	5.182	8	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]H)(CH3)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	105.3583	0.136	7	105.3583	0.018	7	106.1619	5.182	8	106.1619	5.182	8	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[4,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[5,5,6]C[6])(C[6]C[4,6]HH)(H)	C[6](C[5,6,6]C[5,5,3x6]C[5,6,6]H)(C[4,6]C[4,6]C[4]O)(H)2	H(C[5,6,6]C[5,5,3x6]C[5,6,6]C[6])	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[5,5,6]C[6])(C[6]C[4,6]HH)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,3x6]C[5,6,6]H)(C[4,6]C[4,6]C[4]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,3x6]C[5,6,6]C[6])	108.2520	0.000	1	108.2520	0.000	1	108.2520	0.000	1	108.4202	0.614	4	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	109.4890	0.000	1	108.9115	0.667	2	108.4763	0.902	3	108.4202	0.614	4	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	108.3340	0.000	1	108.9115	0.667	2	108.4763	0.902	3	108.4202	0.614	4	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]S[6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]S[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	107.6060	0.000	1	107.6060	0.000	1	108.4763	0.902	3	108.4202	0.614	4	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(H){2|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,3x6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H)	C[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(O[6]C[6,6])(H)2	H(C[5,6,6]C[5,3x6]C[5,5,6]C[6])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(O[6]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[5,5,6]C[6])	109.3210	0.000	1	109.3210	0.000	1	109.3210	0.000	1	108.6628	0.471	5	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,5,6])(H)2	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,5,6])(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.5380	0.716	2	108.5380	0.512	2	108.4982	0.448	4	108.6628	0.471	5	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,6])(H)2	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,6])(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.4585	0.909	2	108.4585	0.826	2	108.4982	0.448	4	108.6628	0.471	5	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:C-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.8850	0.000	1	109.8850	0.000	1	109.8850	0.000	1	108.0409	4.029	9	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)2	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.5463	0.391	4	108.5463	0.153	4	108.5463	0.153	4	108.0409	4.029	9	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[6,6]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	102.8920	0.000	1	102.8920	0.000	1	102.8920	0.000	1	108.0409	4.029	9	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]N[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]N[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	108.6350	0.000	1	108.6350	0.000	1	108.4687	0.144	3	108.0409	4.029	9	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	108.7360	0.000	1	108.7360	0.000	1	108.4687	0.144	3	108.0409	4.029	9	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|Si<4>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	108.0350	0.000	1	108.0350	0.000	1	108.4687	0.144	3	108.0409	4.029	9	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H)	H(C[5,6,6]C[5,3x6]C[5,6]C[6])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]C[6])	104.5275	3.041	2	104.5275	9.249	2	104.5275	9.249	2	107.2028	3.826	15	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(OH)(H)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	106.0830	0.000	1	106.0830	0.000	1	106.0830	0.000	1	107.2028	3.826	15	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6a]O[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	107.2028	3.826	15	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(OH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>,3|O<2>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.5360	0.000	1	106.5360	0.000	1	107.3454	1.417	10	107.2028	3.826	15	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	104.3970	0.000	1	104.3970	0.000	1	107.3454	1.417	10	107.2028	3.826	15	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.5697	0.226	4	107.5697	0.051	4	107.3454	1.417	10	107.2028	3.826	15	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.7685	0.812	2	107.7685	0.660	2	107.3454	1.417	10	107.2028	3.826	15	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.3525	0.059	2	108.3525	0.003	2	107.3454	1.417	10	107.2028	3.826	15	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H){3|C<4>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.4860	0.000	1	108.4860	0.000	1	108.4860	0.000	1	107.2028	3.826	15	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.1400	0.000	1	109.1400	0.000	1	109.1400	0.000	1	109.1400	0.000	1	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,6]C[3x5,6]HO)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[3x5,3x6]C[5,6]H)(C[6]C[5,6]HO)(H)2	H(C[5,6,6]C[3x5,3x6]C[5,6]C[6])	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,6]C[3x5,6]HO)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6,6]C[3x5,3x6]C[5,6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[5,6,6]C[3x5,3x6]C[5,6]C[6])	110.2350	0.000	1	110.2350	0.000	1	110.2350	0.000	1	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[3,5,6]N[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[3,6]HH)(H)2	H(C[5,6,6]C[3x5,6,6]C[5,6]C[6])	C[5,6,6](C[3x5,6,6]C[3,5,6]N[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[3x5,6,6]C[5,6]C[6])	108.7140	0.000	1	108.7140	0.000	1	109.4825	1.181	2	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[5,6,6]C[3x5,6,6]C[5,6]C[6])	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,6]C[6])	110.2510	0.000	1	110.2510	0.000	1	109.4825	1.181	2	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[3,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5a,6,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[3,5,6]C[5,3x6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[3,5,6]C[5,3x6]C[6])	C[5,6,6](C[5,3x6]C[5a,6,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6](C[5,6,6]C[3,5,6]C[5,3x6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[3,5,6]C[5,3x6]C[6])	112.6800	0.000	1	112.6800	0.000	1	112.6800	0.000	1	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[5,6,6]C[5,5,6,6]2C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5,6,6]C[5,5,6,6]2C[6])	108.1450	0.000	1	108.1450	0.000	1	108.1450	0.000	1	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	106.3560	0.000	1	106.3560	0.000	1	108.6205	10.256	2	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	110.8850	0.000	1	110.8850	0.000	1	108.6205	10.256	2	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]HH)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[3,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	108.2850	1.407	2	108.2850	1.980	2	109.3811	2.565	12	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	109.1220	0.000	1	109.1220	0.000	1	109.3811	2.565	12	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]2H)(C[5,6]C[5,5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]2H)(C[5,6]C[5,5,6]CC)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	111.5770	0.000	1	111.5770	0.000	1	109.3811	2.565	12	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	111.6550	0.000	1	111.6550	0.000	1	109.3811	2.565	12	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	108.4420	0.000	1	108.4420	0.000	1	109.3811	2.565	12	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	108.3965	0.081	2	108.3965	0.007	2	109.3811	2.565	12	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	110.8480	0.000	1	110.8480	0.000	1	109.3811	2.565	12	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	107.1490	0.000	1	107.1490	0.000	1	109.3811	2.565	12	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	111.3130	0.000	1	111.3130	0.000	1	109.3811	2.565	12	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H){1|C<2>,4|H<1>,6|C<3>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	109.1040	0.000	1	109.1040	0.000	1	109.3811	2.565	12	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(H)2	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(H)2{2|Cl<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.7460	0.274	7	108.7460	0.075	7	108.7460	0.075	7	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<4>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.6505	0.305	4	106.6505	0.093	4	108.2750	1.659	12	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.9620	0.079	2	109.9620	0.006	2	108.2750	1.659	12	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.8360	0.048	4	108.8360	0.002	4	108.2750	1.659	12	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]BrH)(H)2	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Br<1>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]BrH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.7150	0.247	2	108.7150	0.061	2	108.2750	1.659	12	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	H(C[5,6,6]C[5,6,6]2C[6])	110.2760	0.000	1	110.2760	0.000	1	106.9688	6.631	6	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]2C[6])	105.7255	0.022	2	106.3074	5.008	5	106.9688	6.631	6	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]2C[6])	104.6710	0.000	1	106.3074	5.008	5	106.9688	6.631	6	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]2C[6])	105.1820	0.000	1	106.3074	5.008	5	106.9688	6.631	6	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|O<1>,6|H<1>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]2C[6])	110.2330	0.000	1	106.3074	5.008	5	106.9688	6.631	6	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6,6]H)(H)2	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6,6]H)(H)2{1|N<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	110.3510	0.000	1	110.3510	0.000	1	109.0257	3.325	3	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(H)2	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(H)2{1|Si<4>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	106.9460	0.000	1	106.9460	0.000	1	109.0257	3.325	3	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	109.7800	0.000	1	109.7800	0.000	1	109.0257	3.325	3	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	110.4210	0.000	1	110.4210	0.000	1	111.0660	0.379	3	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	111.3885	0.366	2	111.3885	0.134	2	111.0660	0.379	3	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[5,6,6]C[5,6,6]N[5,6,6]C[6])	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6,6]C[6])	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	108.8787	3.234	53	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H){2|O<2>,3|H<1>,6|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	126.8390	0.000	1	126.8390	0.000	1	126.8390	0.000	1	109.0694	30.664	13	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.1420	0.000	1	106.1420	0.000	1	106.8035	0.875	2	109.0694	30.664	13	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.4650	0.000	1	107.4650	0.000	1	106.8035	0.875	2	109.0694	30.664	13	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.4310	0.123	2	108.4310	0.015	2	108.6680	0.176	3	109.0694	30.664	13	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.1420	0.000	1	109.1420	0.000	1	108.6680	0.176	3	109.0694	30.664	13	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.7922	1.137	6	106.7922	1.292	6	106.7922	1.292	6	109.0694	30.664	13	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|H<1>,3|C<4>,3|O<2>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	109.0694	30.664	13	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]2C[6])	104.3990	0.000	1	104.4870	0.015	2	104.4870	0.015	2	104.4870	0.015	2	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|O<1>,6|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]2C[6])	104.5750	0.000	1	104.4870	0.015	2	104.4870	0.015	2	104.4870	0.015	2	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO)	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H){3|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])	110.6320	0.000	1	110.6320	0.000	1	110.6320	0.000	1	110.6320	0.000	1	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	108.7560	0.000	1	108.7560	0.000	1	108.7520	0.161	3	108.7520	0.161	3	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){2|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	108.3490	0.000	1	108.3490	0.000	1	108.7520	0.161	3	108.7520	0.161	3	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(CH3)2	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	109.1510	0.000	1	109.1510	0.000	1	108.7520	0.161	3	108.7520	0.161	3	108.5857	5.987	142	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x6]	H	3:4:4:1:	4:4:2:1:	4:	C[5,6,6a]-3:C[3x6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6]-4:O[6,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[4x6]O[6,6]H)(C[5]C[5]CH)(H)	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6a]C[5]H)(O[6,6]C[3x6])(H)	H(C[5,6]C[5,6,6a]C[3x6]C[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[4x6]O[6,6]H)(C[5]C[5]CH)(H){2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6a]C[5]H)(O[6,6]C[3x6])(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6a]C[3x6]C[5])	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.3551	1.842	9	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x6]	H	4:4:2:1:	4:4:4:3:	4:	C[3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6]-4:C[6]-4:N[6]-3:	C[5,6]-4:	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H)	H(C[5,6]C[3x6]C[5,6]O[5])	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H){2|C<4>,2|O<1>,3|O<2>,4|H<1>}	H(C[5,6]C[3x6]C[5,6]O[5])	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	108.3551	1.842	9	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[3x6]C[5,3x6]C[4x6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[3x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]O[5]H)(CH3)	H(C[5,6]C[3x6]C[5,6]O[5])	C[5,6](C[3x6]C[5,3x6]C[4x6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[3x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]O[5]H)(CH3){10|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6]C[3x6]C[5,6]O[5])	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	108.3551	1.842	9	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x6]	H	4:4:3:1:	4:3:4:1:	4:	C[3x6]-4:C[5,6]-4:C[5]-3:H-1:	C[3x6]-4:C[4x6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x6]C[3x6]C[4x6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H)	H(C[5,6]C[3x6]C[5,6]C[5])	C[5,6](C[3x6]C[3x6]C[4x6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H){1|Si<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[3x6]C[5,6]C[5])	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	108.3551	1.842	9	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:N[5]-3:H-1:	C[5,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x6]C[4x6]C[6,6]H)(C[5,6,6]C[5,6]C[6]2)(N[5]C[5]S)(H)	C[3x6](C[5,6]C[5,6,6]N[5]H)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)	H(C[5,6]C[5,6,6]C[3x6]N[5])	C[5,6](C[3x6]C[4x6]C[6,6]H)(C[5,6,6]C[5,6]C[6]2)(N[5]C[5]S)(H){1|O<1>,2|C<3>,5|C<4>,6|H<1>}	C[3x6](C[5,6]C[5,6,6]N[5]H)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H){1|O<1>,1|S<4>,2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[3x6]N[5])	108.4620	0.690	3	108.4620	0.476	3	108.4620	0.476	3	108.4620	0.476	3	108.3551	1.842	9	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H)	H(C[5,6]C[3x6]C[5,6]C[5])	C[5,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[3x6]C[5,6]C[5])	106.3165	0.296	2	106.3165	0.088	2	106.3165	0.088	2	106.3165	0.088	2	108.3551	1.842	9	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[4x6]	H	4:3:4:1:	4:4:3:3:	4:	C[4x6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[3x6]-3:C[6,6]-3:	C[5,6]-4:	C[5,6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[4x6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)	H(C[5,6]C[4x6]C[5,6]C[5])	C[5,6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[4x6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O){2|C<3>,3|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[4x6]C[5,6]C[5])	106.8430	0.000	1	106.8430	0.000	1	106.8430	0.000	1	106.8430	0.000	1	105.6390	2.899	2	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[4x6]	H	4:4:4:1:	4:4:3:2:	4:	C[4x6]-4:C[5,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6]-4:C[6,6]-3:O[6,6]-2:	C[5,6]-4:	C[5,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])	H(C[5,6]C[4x6]C[5,6]C[5])	C[5,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6]){5|H<1>,7|C<4>}	H(C[5,6]C[4x6]C[5,6]C[5])	104.4350	0.000	1	104.4350	0.000	1	104.4350	0.000	1	104.4350	0.000	1	105.6390	2.899	2	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	3:3:4:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6,6]C[6]3)(H)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(C[6]O[6]O)2	H(C[5,6]C[5,6a]C[5,6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6,6]C[6]3)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(C[6]O[6]O)2{1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6,6])	107.2810	0.000	1	107.2810	0.000	1	107.2810	0.000	1	107.2810	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	3:4:3:1:	4:3:4:4:	4:	C[5,6a]-3:C[6,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[5,6]C[5,6a]C[6,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,4|C<3>,7|H<1>}	C[6,6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2{2|C<4>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[6,6]N[5,6])	104.5510	0.000	2	104.5510	0.000	2	104.5510	0.000	2	104.5510	0.000	2	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(H)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H)	H(C[5,6]C[5,6a]C[5,6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6a]C[5,6]C[6,6])	107.4615	0.165	2	107.4615	0.027	2	107.4615	0.027	2	107.4615	0.027	2	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6a]C[5,6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6,6])	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	3:4:4:1:	4:4:3:3:	4:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[5,6]H)(C[6]C[6]O)	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){1|O<1>,4|C<3>,7|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[5,6]H)(C[6]C[6]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6]N[5,6]C[5])	108.7250	0.000	1	108.7250	0.000	1	108.3217	0.125	3	108.3217	0.125	3	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	3:4:4:1:	4:4:3:3:	4:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6,6a]O)(C[6]O[6]O)	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){1|O<2>,2|O<1>,3|C<3>,6|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6,6a]O)(C[6]O[6]O){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6]N[5,6]C[5])	108.0620	0.000	1	108.0620	0.000	1	108.3217	0.125	3	108.3217	0.125	3	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	3:4:4:1:	4:4:3:3:	4:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6]H)2	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){4|C<3>,8|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6]H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[5,6]C[6,6]N[5,6]C[5])	108.1780	0.000	1	108.1780	0.000	1	108.3217	0.125	3	108.3217	0.125	3	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:2:2:1:	4:3:2:2:	4:	C[6,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH)	H(C[5,6]C[6,6]O[5,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6]O[5,6]O[5])	111.5190	0.000	1	111.5190	0.000	1	111.5190	0.000	1	111.5190	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:2:3:1:	4:3:4:1:	4:	C[6,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[5,6]C[6,6]O[5,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6]O[5,6]C[5])	112.1185	0.008	2	112.1185	0.000	2	112.1185	0.000	2	112.1185	0.000	2	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:2:3:1:	4:4:2:1:	4:	C[6,6]-4:O[5,6]-2:S[5]-3:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(S[5]C[5]C)(H)	C[6,6](C[5,6]O[5,6]S[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H)	H(C[5,6]C[6,6]O[5,6]S[5])	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(S[5]C[5]C)(H){1|Si<4>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[5,6]O[5,6]S[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[6,6]O[5,6]S[5])	110.0520	0.000	1	110.0520	0.000	1	110.0520	0.000	1	110.0520	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:2:4:1:	3:4:3:3:	4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]C[6]2)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2	H(C[5,6]C[6,6]O[5,6]C[5])	C[5,6](C[6,6]C[6,6a]C[6]2)(O[5,6]C[5,6])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|C<4>,3|O<2>}	H(C[5,6]C[6,6]O[5,6]C[5])	110.8920	0.000	1	110.8920	0.000	1	110.8920	0.000	1	110.8920	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:2:4:1:	4:4:2:1:	4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(C[5]S[5]HH)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H)	H(C[5,6]C[6,6]O[5,6]C[5])	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(C[5]S[5]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H){1|O<2>,1|S<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6]O[5,6]C[5])	109.3630	0.000	1	109.3630	0.000	1	109.3630	0.000	1	109.3630	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:2:4:1:	4:4:3:1:	4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H)	H(C[5,6]C[6,6]O[5,6]C[5])	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H){6|C<4>,7|H<1>}	H(C[5,6]C[6,6]O[5,6]C[5])	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[5,6]C[6,6]O[5,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[6,6]O[5,6]C[5])	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:2:4:1:	4:4:4:4:	4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[6,6]O[5,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[6,6]O[5,6]C[5])	109.6780	0.182	2	109.6780	0.033	2	109.6780	0.033	2	109.6780	0.033	2	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.5100	0.000	1	109.5100	0.000	1	109.5100	0.000	1	109.5100	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:2:1:	4:4:4:2:	4:	C[6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.1310	0.000	1	109.1310	0.000	1	109.1310	0.000	1	109.1310	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:3:1:	3:4:4:2:	4:	C[6,6]-4:C[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]C[6,6]O)(C[5,6]C[5]C[6])(N[5]C[5]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH)	H(C[5,6]C[5,6]C[6,6]N[5])	C[5,6](C[6,6]C[6,6a]C[6,6]O)(C[5,6]C[5]C[6])(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[6,6]N[5])	109.7885	1.353	2	109.7885	1.830	2	109.7885	1.830	2	109.7885	1.830	2	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]S)(C[5]C[5]H)(H)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]S)(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6]N[5,6]C[5])	113.1415	0.101	2	113.1415	0.010	2	113.1415	0.010	2	113.1415	0.010	2	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(H){3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.6330	0.000	1	107.6330	0.000	1	107.6330	0.000	1	107.6330	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:4:1:	3:4:3:1:	4:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:Cl-1:	C[5,6]-4:	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]H)(Cl)	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]H)(Cl){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6]N[5,6]C[5])	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:4:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-3:N[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(N[5]C[5]CH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	H(C[5,6]C[5,6]C[6,6]N[5])	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(N[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|C<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]N[5])	112.1300	0.000	1	112.1300	0.000	1	112.1300	0.000	1	112.1300	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(H)	H(C[5,6]C[5,6a]C[5,6]C[6,6])	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6,6])	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6575	0.237	2	106.6575	0.056	2	106.6575	0.056	2	106.6575	0.056	2	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0600	0.205	2	107.6237	0.974	3	107.6237	0.974	3	107.6237	0.974	3	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.7510	0.000	1	107.6237	0.974	3	107.6237	0.974	3	107.6237	0.974	3	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.1340	0.000	1	107.1340	0.000	1	107.1340	0.000	1	108.7240	2.504	6	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3340	0.000	1	106.3340	0.000	1	106.3340	0.000	1	108.7240	2.504	6	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[6,6]N[5,6]C[5])	109.7150	0.164	2	109.7150	0.027	2	109.7190	0.107	4	108.7240	2.504	6	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[6,6]N[5,6]C[5])	109.7230	0.543	2	109.7230	0.295	2	109.7190	0.107	4	108.7240	2.504	6	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3500	0.197	2	106.3500	0.039	2	107.4269	0.445	9	107.4269	0.445	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.9300	0.154	4	107.9300	0.024	4	107.4269	0.445	9	107.4269	0.445	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.2040	0.000	1	107.2040	0.000	1	107.4269	0.445	9	107.4269	0.445	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.6090	0.069	2	107.6090	0.005	2	107.4269	0.445	9	107.4269	0.445	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	3:4:3:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.6080	0.000	1	110.6080	0.000	1	110.6080	0.000	1	110.2210	0.300	2	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	3:4:3:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	110.2210	0.300	2	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:2:4:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[6,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|F<1>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.5480	0.000	1	109.5480	0.000	1	109.5480	0.000	1	109.5480	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.1135	0.220	4	109.1102	0.036	5	109.1102	0.036	5	109.1102	0.036	5	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.0970	0.000	1	109.1102	0.036	5	109.1102	0.036	5	109.1102	0.036	5	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:3:3:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:N[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H){2|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.5740	0.000	1	110.5740	0.000	1	110.5740	0.000	1	110.5740	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[3,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]S[6])(H)	H(C[5,6]C[3,5,6]C[6,6]O[5])	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	C[6,6](C[5,6]C[3,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]S[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[3,5,6]C[6,6]O[5])	110.1320	0.000	1	110.1320	0.000	1	110.1320	0.000	1	109.5430	0.724	12	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H)	H(C[5,6]C[5,5,6]C[6,6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H){1|Si<4>,1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[6,6]O[5])	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	109.5430	0.724	12	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]O[6]H)(O[5]C[5,6a])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]O[6]H)(O[5]C[5,6a])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	109.5430	0.724	12	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|Si<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.4920	0.000	1	110.4920	0.000	1	109.7503	0.461	9	109.5430	0.724	12	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.4240	0.000	1	108.4240	0.000	1	109.7503	0.461	9	109.5430	0.724	12	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.9780	0.000	1	109.9780	0.000	1	109.7503	0.461	9	109.5430	0.724	12	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.8340	0.000	1	109.8098	0.261	6	109.7503	0.461	9	109.5430	0.724	12	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.7350	0.000	1	109.8098	0.261	6	109.7503	0.461	9	109.5430	0.724	12	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.3685	0.235	2	109.8098	0.261	6	109.7503	0.461	9	109.5430	0.724	12	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.7765	0.006	2	109.8098	0.261	6	109.7503	0.461	9	109.5430	0.724	12	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[6]-4:S[6]-2:S[6]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H)	C[6,6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(S[6]C[6])2	H(C[5,6]C[5,6]C[6,6]O[5,6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H){1|C<3>,4|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(S[6]C[6])2{4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5,6])	109.8667	0.111	4	109.8667	0.012	4	109.8667	0.012	4	109.8667	0.012	4	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:2:3:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:C-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(O[6]C[6])(CCO)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(O[6]C[6])(CCO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.5160	0.226	2	108.5160	0.051	2	108.5160	0.051	2	108.5160	0.051	2	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.4130	0.000	1	109.4130	0.000	1	109.6130	0.128	4	109.4160	0.620	10	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.6797	0.407	3	109.6797	0.165	3	109.6130	0.128	4	109.4160	0.620	10	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.1885	0.182	2	108.4877	0.285	3	108.8410	0.689	4	109.4160	0.620	10	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.0860	0.000	1	108.4877	0.285	3	108.8410	0.689	4	109.4160	0.620	10	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.9010	0.000	1	109.9010	0.000	1	108.8410	0.689	4	109.4160	0.620	10	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.6770	0.000	1	110.6770	0.000	1	110.1720	0.510	2	109.4160	0.620	10	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.6670	0.000	1	109.6670	0.000	1	110.1720	0.510	2	109.4160	0.620	10	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.3460	0.000	1	109.3460	0.000	1	109.3460	0.000	1	109.3460	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6])(H)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)	H(C[5,6]C[5,6,6]C[6,6]O[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6])(H){1|H<1>,2|C<3>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H){2|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6,6]O[5])	110.0630	0.000	1	110.0630	0.000	1	110.0630	0.000	1	109.9802	0.469	6	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	109.9802	0.469	6	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	111.2610	0.000	1	111.2610	0.000	1	110.4150	1.431	2	109.9802	0.469	6	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.5690	0.000	1	109.5690	0.000	1	110.4150	1.431	2	109.9802	0.469	6	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.8055	0.325	2	109.8055	0.105	2	109.8055	0.105	2	109.9802	0.469	6	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH){2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.4810	0.000	1	108.4810	0.000	1	108.4810	0.000	1	108.4810	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]3)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2	H(C[5,6]C[5,6,6]C[6,6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]3)(O[5]C[5])(H){13|H<1>,1|C<3>,2|C<4>,2|N<3>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2{1|C<3>,1|H<1>,7|C<4>}	H(C[5,6]C[5,6,6]C[6,6]O[5])	108.5395	0.520	2	108.5395	0.270	2	108.5395	0.270	2	109.3630	0.995	4	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.1865	0.029	2	110.1865	0.001	2	110.1865	0.001	2	109.3630	0.995	4	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.9870	0.280	2	108.9870	0.078	2	108.9870	0.078	2	108.9870	0.078	2	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3x6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3x6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	108.5566	1.073	5	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]Si[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]Si[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	108.5566	1.073	5	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.1880	1.949	2	108.1880	3.798	2	108.1880	3.798	2	108.5566	1.073	5	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	H(C[5,6]C[5,6]C[6,6]N[5])	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]N[5])	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	108.5566	1.073	5	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:2:2:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	112.3870	0.000	1	112.3870	0.000	1	112.3870	0.000	1	112.3870	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.5105	0.469	2	108.5105	0.220	2	108.5105	0.220	2	108.5105	0.220	2	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|B<3>,1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.5120	0.000	1	108.5120	0.000	1	109.4975	1.400	4	109.6942	1.669	18	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.4910	0.000	1	110.3270	1.398	2	109.4975	1.400	4	109.6942	1.669	18	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	111.1630	0.000	1	110.3270	1.398	2	109.4975	1.400	4	109.6942	1.669	18	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.8240	0.000	1	108.8240	0.000	1	109.4975	1.400	4	109.6942	1.669	18	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.1450	0.000	1	109.1450	0.000	1	109.1450	0.000	1	109.6942	1.669	18	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	112.6495	0.112	2	112.6495	0.013	2	109.7970	1.965	13	109.6942	1.669	18	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.1060	0.000	1	109.1060	0.000	1	109.7970	1.965	13	109.6942	1.669	18	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.6480	0.000	1	109.6480	0.000	1	109.7970	1.965	13	109.6942	1.669	18	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.0750	0.314	2	109.2460	0.073	4	109.7970	1.965	13	109.6942	1.669	18	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.4170	0.059	2	109.2460	0.073	4	109.7970	1.965	13	109.6942	1.669	18	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|B<3>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.5220	0.000	1	108.9355	0.688	2	109.7970	1.965	13	109.6942	1.669	18	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|S<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.3490	0.000	1	108.9355	0.688	2	109.7970	1.965	13	109.6942	1.669	18	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.1000	0.000	1	109.0935	1.974	2	109.7970	1.965	13	109.6942	1.669	18	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.0870	0.000	1	109.0935	1.974	2	109.7970	1.965	13	109.6942	1.669	18	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.2660	0.000	1	110.2660	0.000	1	109.7970	1.965	13	109.6942	1.669	18	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[5,5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,5,6]C[6,6]C[5])	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[6,6]C[5])	108.8930	0.000	1	108.8930	0.000	1	108.8930	0.000	1	108.8930	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]N[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|H<1>,3|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]N[5])	110.5323	0.157	3	110.5323	0.025	3	110.6977	0.126	4	110.6977	0.126	4	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(N[5]N[5]C)(H)	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]N[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(N[5]N[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|N<2>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]N[5])	111.1940	0.000	1	111.1940	0.000	1	110.6977	0.126	4	110.6977	0.126	4	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:2:3:	4:	C[5,5,6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]O[6]C)(N[5]C[5,6a]C)(H)	C[6,6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[5,6,6]HO)(O[6]C[5,6])(COO)	H(C[5,6]C[5,5,6]C[6,6]N[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]O[6]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[5,6,6]HO)(O[6]C[5,6])(COO){1|N<3>,2|C<3>,6|C<4>}	H(C[5,6]C[5,5,6]C[6,6]N[5])	108.6330	0.642	2	108.6330	0.412	2	108.6330	0.412	2	108.6330	0.412	2	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]O)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	108.6974	6.372	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.1410	0.000	1	109.1410	0.000	1	109.1410	0.000	1	108.6974	6.372	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.5490	0.000	1	108.5490	0.000	1	108.7989	7.240	19	108.6974	6.372	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.8250	0.000	1	109.0480	0.075	4	108.7989	7.240	19	108.6974	6.372	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.0180	0.307	2	109.0480	0.075	4	108.7989	7.240	19	108.6974	6.372	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.3310	0.000	1	109.0480	0.075	4	108.7989	7.240	19	108.6974	6.372	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.8900	0.006	2	108.7196	11.710	12	108.7989	7.240	19	108.6974	6.372	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.1360	0.000	1	108.7196	11.710	12	108.7989	7.240	19	108.6974	6.372	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.7680	0.972	6	108.7196	11.710	12	108.7989	7.240	19	108.6974	6.372	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	98.3894	0.000	1	108.7196	11.710	12	108.7989	7.240	19	108.6974	6.372	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	111.6080	0.000	1	108.7196	11.710	12	108.7989	7.240	19	108.6974	6.372	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.1140	0.000	1	108.7196	11.710	12	108.7989	7.240	19	108.6974	6.372	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.9010	0.938	2	108.9010	0.879	2	108.7989	7.240	19	108.6974	6.372	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5x6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5x6]C[5,6,6]C[3x6]2)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5x6]C[5,6,6]C[3x6]2)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|Si<4>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.1350	0.000	1	107.1350	0.000	1	107.1350	0.000	1	108.6974	6.372	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]2C)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]2C)(C[5]O[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0390	0.000	1	106.0390	0.000	1	106.0390	0.000	1	106.0390	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[6,6]C[5a,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5a,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.5900	0.000	1	109.5900	0.000	1	109.5900	0.000	1	109.6311	7.413	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	112.5200	0.000	1	112.5200	0.000	1	112.5200	0.000	1	109.6311	7.413	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]O)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	112.3560	0.000	1	112.3560	0.000	1	110.3685	7.900	2	109.6311	7.413	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.3810	0.000	1	108.3810	0.000	1	110.3685	7.900	2	109.6311	7.413	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.0670	0.000	1	109.1270	2.247	2	108.7666	9.557	5	109.6311	7.413	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.1870	0.000	1	109.1270	2.247	2	108.7666	9.557	5	109.6311	7.413	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.3200	0.000	1	107.3200	0.000	1	108.7666	9.557	5	109.6311	7.413	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.0450	0.000	1	105.0450	0.000	1	108.7666	9.557	5	109.6311	7.413	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	113.2140	0.000	1	113.2140	0.000	1	108.7666	9.557	5	109.6311	7.413	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4360	0.000	1	105.4360	0.000	1	105.4360	0.000	1	105.4360	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5]C)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5]C)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.8780	0.000	1	104.8780	0.000	1	104.6120	0.142	2	107.0263	2.407	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5,6]O)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.3460	0.000	1	104.3460	0.000	1	104.6120	0.142	2	107.0263	2.407	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.4380	0.000	1	108.2645	0.060	2	108.2645	0.060	2	107.0263	2.407	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.0910	0.000	1	108.2645	0.060	2	108.2645	0.060	2	107.0263	2.407	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|O<1>,2|O<2>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0375	0.742	2	107.4968	0.806	5	107.4968	0.806	5	107.0263	2.407	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.9420	0.000	1	107.4968	0.806	5	107.4968	0.806	5	107.0263	2.407	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,2|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.2335	0.152	2	107.4968	0.806	5	107.4968	0.806	5	107.0263	2.407	9	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	108.7883	5.552	3	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,9|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	111.2230	0.000	1	111.2230	0.000	1	111.2230	0.000	1	108.7883	5.552	3	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:N[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	H(C[5,6]C[5,6]C[6,6]N[5])	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]N[5])	108.6230	0.000	1	108.6230	0.000	1	108.6230	0.000	1	108.7883	5.552	3	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:2:4:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:O[6]-2:C[6]-4:O[6]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[6,6]C[6]O[6]2)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6])	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[6,6]C[6]O[6]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6]){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){1|H<1>,2|C<3>,2|O<2>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.0180	0.000	1	109.0180	0.000	1	109.0180	0.000	1	109.0180	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:2:2:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	111.1980	0.000	1	111.1980	0.000	1	111.1980	0.000	1	111.1980	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5140	0.000	1	106.5140	0.000	1	106.5140	0.000	1	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.4455	0.028	2	107.4455	0.001	2	107.4455	0.001	2	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Br)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Br)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.6630	0.000	1	107.6630	0.000	1	106.9813	0.858	16	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0150	0.000	1	107.0150	0.000	1	106.9813	0.858	16	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5380	0.000	1	106.0887	0.186	7	106.9813	0.858	16	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8250	0.000	1	106.0887	0.186	7	106.9813	0.858	16	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0260	0.000	1	106.0887	0.186	7	106.9813	0.858	16	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.7570	0.000	1	106.0887	0.186	7	106.9813	0.858	16	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8990	0.000	1	106.0887	0.186	7	106.9813	0.858	16	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){3|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4920	0.000	1	106.0887	0.186	7	106.9813	0.858	16	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0840	0.000	1	106.0887	0.186	7	106.9813	0.858	16	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9180	0.000	1	107.3480	0.172	3	106.9813	0.858	16	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.3810	0.000	1	107.3480	0.172	3	106.9813	0.858	16	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.7450	0.000	1	107.3480	0.172	3	106.9813	0.858	16	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Cl<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.0365	0.172	2	108.0365	0.030	2	106.9813	0.858	16	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.1420	0.105	2	108.1420	0.011	2	106.9813	0.858	16	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8520	0.000	1	109.6017	5.671	3	109.6017	5.671	3	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.9660	0.000	1	109.6017	5.671	3	109.6017	5.671	3	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.9870	0.000	1	109.6017	5.671	3	109.6017	5.671	3	107.3595	2.015	22	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,5,6]C[6,6]C[5])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[6,6]C[5])	109.6360	0.344	2	109.6360	0.118	2	109.6360	0.118	2	109.6360	0.118	2	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	105.7750	0.000	1	105.7750	0.000	1	105.7750	0.000	1	107.0833	0.456	6	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.5093	0.110	3	107.4060	0.051	4	107.3450	0.057	5	107.0833	0.456	6	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0960	0.000	1	107.4060	0.051	4	107.3450	0.057	5	107.0833	0.456	6	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.1010	0.000	1	107.1010	0.000	1	107.3450	0.057	5	107.0833	0.456	6	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.1830	0.000	1	108.1830	0.000	1	108.1830	0.000	1	108.1830	0.000	1	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,4|H<1>,7|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	103.8830	0.000	1	103.8830	0.000	1	103.8830	0.000	1	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,4|H<1>,7|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	104.5070	0.276	2	104.5070	0.076	2	104.5070	0.076	2	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]O)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8680	0.000	1	106.8680	0.000	1	106.8680	0.000	1	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.3330	0.000	1	110.3330	0.000	1	110.3330	0.000	1	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.4610	0.000	1	108.4610	0.000	1	108.4610	0.000	1	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|F<1>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0737	0.286	4	107.0737	0.082	4	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3690	0.000	1	106.4437	0.032	3	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4810	0.236	2	106.4437	0.032	3	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2160	0.000	1	106.1077	0.252	16	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|F<1>,2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8860	0.000	1	106.1077	0.252	16	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2330	0.000	1	106.1077	0.252	16	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1820	0.161	2	106.1077	0.252	16	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3780	0.197	2	106.1077	0.252	16	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1090	0.000	2	106.1077	0.252	16	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.6310	0.000	1	106.1077	0.252	16	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8170	0.359	3	106.1077	0.252	16	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.0830	0.000	1	106.1077	0.252	16	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5560	0.000	1	106.1077	0.252	16	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.3300	0.000	1	106.1077	0.252	16	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3275	0.284	2	106.5127	0.238	7	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9940	0.000	1	106.5127	0.238	7	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9813	0.202	3	106.5127	0.238	7	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9960	0.000	1	106.5127	0.238	7	106.3646	0.302	30	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5120	0.000	1	105.5120	0.000	1	105.5120	0.000	1	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.2330	0.000	1	107.2330	0.000	1	107.2085	0.001	2	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.1840	0.000	1	107.1840	0.000	1	107.2085	0.001	2	106.3956	1.168	39	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH){1|O<2>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	102.9420	0.194	2	102.9420	0.038	2	102.9420	0.038	2	102.9420	0.038	2	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,3x6]C[6,6]C[5])	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H){2|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,3x6]C[6,6]C[5])	107.4753	0.255	3	107.4753	0.065	3	107.4753	0.065	3	107.3047	0.160	4	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){3|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.7930	0.000	1	106.7930	0.000	1	106.7930	0.000	1	107.3047	0.160	4	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	106.0730	2.156	3	106.0730	4.649	3	105.6677	3.756	4	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,2|C<4>,3|O<2>,7|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,4|H<1>,7|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	104.4520	0.000	1	104.4520	0.000	1	105.6677	3.756	4	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|Cl<1>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	104.3060	0.000	1	104.3060	0.000	1	105.0238	2.016	4	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	107.1490	0.000	1	107.1490	0.000	1	105.0238	2.016	4	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	104.3200	0.158	2	104.3200	0.025	2	105.0238	2.016	4	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[6,6]C[5])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){10|H<1>,1|C<3>,1|N<3>,3|C<4>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[6,6]C[5])	105.9370	0.000	1	105.9370	0.000	1	105.9370	0.000	1	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6,6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6,6])	106.7300	0.000	1	106.7300	0.000	1	106.7300	0.000	1	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8657	0.067	3	105.6034	0.074	11	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.1830	0.000	1	105.6034	0.074	11	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.6740	0.000	1	105.6034	0.074	11	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7610	0.262	2	105.6034	0.074	11	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2100	0.000	1	105.6034	0.074	11	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4070	0.000	1	105.6034	0.074	11	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5220	0.126	2	105.6034	0.074	11	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8080	0.000	1	105.8080	0.000	1	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.4190	0.000	1	109.4190	0.000	1	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|F<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9440	0.000	1	106.9440	0.000	1	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7120	0.000	1	105.9845	0.160	35	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9580	0.426	9	105.9845	0.160	35	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1840	0.000	1	105.9845	0.160	35	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5825	0.348	4	105.9845	0.160	35	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9170	0.000	1	105.9845	0.160	35	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9890	0.000	1	105.9845	0.160	35	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9670	0.287	2	105.9845	0.160	35	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7435	0.517	4	105.9845	0.160	35	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2320	0.000	1	105.9845	0.160	35	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8695	0.271	11	105.9845	0.160	35	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0915	0.232	4	106.1296	0.048	5	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2820	0.000	1	106.1296	0.048	5	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9295	0.203	2	106.9295	0.041	2	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5800	0.000	1	105.5800	0.000	1	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.3420	2.667	2	106.6592	1.274	9	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9040	0.486	2	106.6592	1.274	9	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4790	0.000	1	106.6592	1.274	9	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4700	0.000	1	106.6592	1.274	9	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3270	0.332	2	106.6592	1.274	9	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8380	0.000	1	106.6592	1.274	9	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,1|S<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4058	0.659	5	106.4058	0.435	5	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.6430	0.000	1	105.3090	0.196	6	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.3097	0.501	4	105.3090	0.196	6	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.9720	0.000	1	105.3090	0.196	6	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2000	0.000	1	106.2000	0.000	1	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2680	0.000	1	106.2680	0.000	1	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9147	0.245	6	105.9147	0.060	6	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5230	0.000	1	106.5230	0.000	1	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6620	0.000	1	106.6620	0.000	1	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.6483	1.330	3	107.6483	1.769	3	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.9360	0.000	1	104.9360	0.000	1	106.1120	0.623	91	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[4,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6380	0.912	2	106.6380	0.832	2	106.0909	0.382	13	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0920	0.000	1	106.0920	0.000	1	106.0909	0.382	13	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4735	0.026	2	106.4008	0.037	4	106.0909	0.382	13	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1170	0.000	1	106.4008	0.037	4	106.0909	0.382	13	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5390	0.000	1	106.4008	0.037	4	106.0909	0.382	13	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.9830	0.000	2	104.9830	0.000	2	106.0909	0.382	13	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8280	0.000	1	106.1280	0.075	3	106.0909	0.382	13	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3660	0.000	1	106.1280	0.075	3	106.0909	0.382	13	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1900	0.000	1	106.1280	0.075	3	106.0909	0.382	13	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8610	0.000	1	105.8610	0.000	1	106.0909	0.382	13	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,6|H<1>,7|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	105.9770	2.236	2	105.9770	4.999	2	105.9770	4.999	2	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.2830	0.000	1	107.2830	0.000	1	105.7477	1.097	4	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.1410	0.000	1	105.2360	0.074	3	105.7477	1.097	4	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2835	0.367	2	105.2360	0.074	3	105.7477	1.097	4	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5590	0.000	1	105.9165	0.826	2	105.9165	0.826	2	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2740	0.000	1	105.9165	0.826	2	105.9165	0.826	2	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,8|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0890	0.099	2	106.0890	0.010	2	106.0890	0.010	2	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|H<1>,8|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2070	0.000	1	105.2070	0.000	1	105.2070	0.000	1	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0160	0.000	1	107.0160	0.000	1	107.0160	0.000	1	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3]C[5]H)(H){1|O<2>,6|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|H<1>,8|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.1750	0.000	1	107.1750	0.000	1	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5416	0.561	10	106.4949	0.245	17	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3230	0.551	4	106.4949	0.245	17	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|H<1>,8|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5687	0.122	3	106.4949	0.245	17	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.8980	0.000	1	107.8980	0.000	1	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2420	0.000	1	106.1925	0.180	6	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0950	0.000	1	106.1925	0.180	6	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8280	0.000	1	106.1925	0.180	6	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3300	0.591	3	106.1925	0.180	6	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4770	0.390	4	106.0218	1.073	9	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0840	0.000	1	106.0218	1.073	9	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	103.6340	0.000	1	106.0218	1.073	9	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|F<1>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2200	0.000	1	106.0218	1.073	9	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|F<1>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6750	0.315	2	106.0218	1.073	9	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1530	0.000	1	104.7903	2.726	4	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0840	0.000	1	104.7903	2.726	4	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.2100	0.000	1	104.7903	2.726	4	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	102.7140	0.000	1	104.7903	2.726	4	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7050	0.000	1	105.7050	0.000	1	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0385	0.771	2	106.0385	0.595	2	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6447	0.294	3	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8210	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5115	0.073	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8130	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	111.9800	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2441	0.326	10	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5830	0.566	5	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4195	0.118	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4020	0.171	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9675	0.021	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5025	0.690	4	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2240	0.236	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8730	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6230	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4740	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.6704	0.414	10	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7550	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){4|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8130	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5865	0.396	6	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|F<1>,1|O<2>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4100	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2870	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.7100	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8510	0.372	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7595	0.146	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3775	0.131	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6665	0.078	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9917	0.407	4	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1400	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.7060	0.129	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5180	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2810	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.8370	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.3220	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.1030	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8708	1.850	4	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5760	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9705	0.098	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8535	0.026	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0273	0.789	63	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1565	0.477	6	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9755	0.258	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5367	0.237	3	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0330	0.107	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3565	0.037	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6190	0.269	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.6040	0.284	4	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.6510	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0000	0.747	3	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0260	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7382	0.300	4	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0584	0.446	5	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4310	1.209	40	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3630	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2190	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2150	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9390	0.071	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	102.3306	6.148	3	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4085	0.019	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	103.1339	5.984	3	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4215	0.033	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0205	0.046	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.7003	0.367	3	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4360	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4920	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0535	0.698	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1850	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5500	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2163	0.693	8	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0550	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2810	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4711	2.192	11	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9690	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5490	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8300	0.447	3	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9860	0.075	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3133	0.493	62	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.0540	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2737	0.590	6	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4240	0.286	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5470	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.0439	3.231	12	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4930	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0647	0.263	3	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7801	0.680	10	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4730	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4860	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6560	0.000	1	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6790	0.468	2	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3740	0.234	3	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1496	0.484	47	106.0879	1.460	433	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|N<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8180	0.000	2	106.8180	0.000	2	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9110	0.371	4	106.2430	0.696	103	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|N<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8470	0.000	1	106.2430	0.696	103	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9655	0.395	2	106.2430	0.696	103	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8220	0.000	2	106.2430	0.696	103	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2120	0.486	2	106.2430	0.696	103	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2559	0.865	92	106.2430	0.696	103	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3710	0.000	1	106.3167	0.235	3	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.7720	0.000	1	106.3167	0.235	3	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8070	0.000	1	106.3167	0.235	3	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6670	0.000	1	106.6670	0.000	1	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2520	0.000	1	105.2520	0.000	1	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5570	0.000	1	105.5570	0.000	1	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.5750	0.000	1	107.6170	0.004	2	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.6590	0.000	1	107.6170	0.004	2	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.9750	0.000	1	107.9750	0.000	1	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.3040	0.000	1	108.3040	0.000	1	106.1366	1.285	589	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3,5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3,5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0680	0.000	1	106.0680	0.000	1	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0430	0.000	1	106.0430	0.000	1	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7100	0.028	2	105.7833	0.017	3	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|C<3>,1|S<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9300	0.000	1	105.7833	0.017	3	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3180	0.000	1	106.3180	0.000	1	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8410	0.000	1	106.1830	0.866	2	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5250	0.000	1	106.1830	0.866	2	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0585	0.448	6	106.9606	0.234	7	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3730	0.000	1	106.9606	0.234	7	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7530	0.000	1	105.7530	0.000	1	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5240	0.000	1	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.7110	0.000	1	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.0860	0.000	1	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.7249	0.784	35	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.1680	0.000	1	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.7530	0.000	1	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2347	0.412	18	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5835	0.190	2	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5710	0.906	29	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4251	0.391	8	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7117	0.268	3	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3115	0.039	2	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8347	0.219	4	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3465	0.042	2	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4780	0.000	1	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.6545	0.066	2	106.4193	0.576	111	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1350	0.051	3	106.1350	0.003	3	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4500	0.000	1	106.4500	0.000	1	106.4124	0.539	131	106.1660	1.101	846	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.6470	0.092	4	110.6470	0.009	4	110.7021	0.078	17	110.4513	0.678	19	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	111.3450	0.000	1	110.7848	0.111	6	110.7021	0.078	17	110.4513	0.678	19	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){4|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.6728	0.211	5	110.7848	0.111	6	110.7021	0.078	17	110.4513	0.678	19	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.2700	0.000	1	110.2700	0.000	1	110.7021	0.078	17	110.4513	0.678	19	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.4300	0.000	1	110.4300	0.000	1	110.7021	0.078	17	110.4513	0.678	19	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.3350	0.000	1	110.3350	0.000	1	110.7021	0.078	17	110.4513	0.678	19	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.7990	0.003	2	110.8973	0.029	3	110.7021	0.078	17	110.4513	0.678	19	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,4|C<4>,4|H<1>,4|O<2>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	111.0940	0.000	1	110.8973	0.029	3	110.7021	0.078	17	110.4513	0.678	19	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH){1|N<4>,3|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.9120	0.000	1	110.9120	0.000	1	110.7021	0.078	17	110.4513	0.678	19	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:N[6]-2:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2N[6])(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)2(N[6]C[5,6])	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2N[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|O<2>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)2(N[6]C[5,6]){1|C<3>,1|N<3>,1|S<4>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.6900	0.000	1	107.6900	0.000	1	107.6900	0.000	1	110.4513	0.678	19	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.9490	0.000	1	108.9490	0.000	1	108.9490	0.000	1	110.4513	0.678	19	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]CC)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]O)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]O){6|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	103.0850	0.076	2	103.0850	0.006	2	103.0850	0.006	2	105.2362	6.201	4	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.5950	0.000	1	107.5950	0.000	1	107.3875	0.086	2	105.2362	6.201	4	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(COO){1|O<2>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.1800	0.000	1	107.1800	0.000	1	107.3875	0.086	2	105.2362	6.201	4	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,6]C[4]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[3,5,6]HH)(H)	C[6,6](C[5,6]C[4,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[4,5,6]C[6,6]C[5])	C[5,6](C[4,5,6]C[4,5,6]C[4]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[3,5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[4,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[5,6]C[4,5,6]C[6,6]C[5])	104.8900	0.260	2	104.8900	0.068	2	104.8900	0.068	2	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,5,6]C[6,6]C[5])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){2|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[6,6]C[5])	104.0100	0.000	1	104.0100	0.000	1	106.5485	12.888	2	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,5,6]C[6,6]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(H){2|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3){1|O<1>,2|H<1>,3|C<4>,3|O<2>}	H(C[5,6]C[5,5,6]C[6,6]C[5])	109.0870	0.000	1	109.0870	0.000	1	106.5485	12.888	2	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){6|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	109.9960	0.000	1	109.9960	0.000	1	108.4820	4.584	2	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	106.9680	0.000	1	106.9680	0.000	1	108.4820	4.584	2	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|N<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9215	0.028	2	105.9215	0.001	2	105.2465	2.269	11	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	102.9490	0.000	1	103.3370	0.113	3	105.2465	2.269	11	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	103.5310	0.000	2	103.3370	0.113	3	105.2465	2.269	11	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.8320	0.000	1	104.8320	0.000	1	105.2465	2.269	11	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9380	0.000	1	106.9517	0.001	3	105.2465	2.269	11	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9585	0.036	2	106.9517	0.001	3	105.2465	2.269	11	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.1730	0.000	1	105.0855	1.665	2	105.2465	2.269	11	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9980	0.000	1	105.0855	1.665	2	105.2465	2.269	11	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3x6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]CC)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]CC)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,3|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.9860	0.000	1	104.9860	0.000	1	104.9860	0.000	1	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.5177	0.668	3	104.5177	0.447	3	105.3157	2.173	20	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.3020	0.000	1	104.3020	0.000	1	105.3157	2.173	20	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|H<1>,4|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.4225	0.077	2	107.4225	0.006	2	105.3157	2.173	20	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6420	0.000	1	106.6420	0.000	1	105.3157	2.173	20	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.0530	0.330	2	105.0530	0.109	2	105.3157	2.173	20	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.1740	0.000	1	107.1740	0.000	1	105.3157	2.173	20	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]B[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]B[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|B<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2390	1.768	2	105.2390	3.125	2	105.3157	2.173	20	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.9320	0.000	1	104.9320	0.000	1	105.3157	2.173	20	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|F<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.0000	0.000	1	105.0510	4.547	5	105.3157	2.173	20	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2230	3.632	2	105.0510	4.547	5	105.3157	2.173	20	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.0100	0.000	1	105.0510	4.547	5	105.3157	2.173	20	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.7990	0.000	1	105.0510	4.547	5	105.3157	2.173	20	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.5135	0.105	2	104.5135	0.011	2	105.3157	2.173	20	105.4961	2.808	38	106.7001	2.903	1165	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:3:4:1:	4:3:2:1:	4:	O[5,6]-2:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]C)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]C)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.5020	0.000	1	110.5020	0.000	1	110.5020	0.000	1	110.5020	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:2:1:	4:4:1:1:	4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H){1|F<1>,1|H<1>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.6665	0.052	2	110.6665	0.003	2	110.6520	0.006	9	110.5559	0.050	14	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:2:1:	4:4:1:1:	4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H){1|F<1>,1|H<1>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.6479	0.087	7	110.6479	0.008	7	110.6520	0.006	9	110.5559	0.050	14	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:2:1:	4:4:1:1:	4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	110.7150	0.000	1	110.7150	0.000	1	110.3585	0.254	2	110.5559	0.050	14	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:2:1:	4:4:1:1:	4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	110.0020	0.000	1	110.0020	0.000	1	110.3585	0.254	2	110.5559	0.050	14	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:2:1:	4:4:1:1:	4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HI)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.3990	0.233	3	110.3990	0.054	3	110.3990	0.054	3	110.5559	0.050	14	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:2:1:	4:4:2:1:	4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.2460	0.163	2	110.2460	0.026	2	110.2460	0.026	2	110.4900	0.607	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:2:1:	4:4:2:1:	4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H){1|F<1>,1|H<1>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.2290	0.074	2	110.2290	0.005	2	110.5388	0.723	10	110.4900	0.607	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:2:1:	4:4:2:1:	4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	112.8320	0.000	1	112.8320	0.000	1	110.5388	0.723	10	110.4900	0.607	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:2:1:	4:4:2:1:	4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.3070	0.438	3	110.3070	0.192	3	110.5388	0.723	10	110.4900	0.607	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:2:1:	4:4:2:1:	4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.4595	0.152	2	110.4595	0.023	2	110.5388	0.723	10	110.4900	0.607	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:2:1:	4:4:2:1:	4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.1290	0.371	2	110.1290	0.137	2	110.5388	0.723	10	110.4900	0.607	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:2:1:	4:4:2:2:	4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:O-2:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.5350	0.000	1	110.5350	0.000	1	110.5350	0.000	1	110.5350	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:2:1:	4:4:3:1:	4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.2120	0.088	3	110.2288	0.006	4	110.2288	0.006	4	110.2288	0.006	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:2:1:	4:4:3:1:	4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.2790	0.000	1	110.2288	0.006	4	110.2288	0.006	4	110.2288	0.006	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:2:1:	4:4:4:1:	4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(CCHH)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	116.4330	0.000	1	116.4330	0.000	1	116.4330	0.000	1	116.4330	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	3:4:4:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[5a,6]CH)(C[5]C[5,6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]H)(CH3)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[6]C[5a,6]CH)(C[5]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]H)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]O)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.0618	1.162	4	111.0618	1.351	4	111.7301	0.642	12	111.7301	0.642	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	112.0580	0.112	2	112.0580	0.012	2	111.7301	0.642	12	111.7301	0.642	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]Br)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]Br)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,6]O[5,6]C[5]C[6])	112.1100	0.000	1	112.1100	0.000	1	111.7301	0.642	12	111.7301	0.642	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	112.0760	0.000	1	112.0760	0.000	1	111.7301	0.642	12	111.7301	0.642	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.9510	0.000	1	112.0530	0.106	4	111.7301	0.642	12	111.7301	0.642	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	112.4110	0.000	1	112.0530	0.106	4	111.7301	0.642	12	111.7301	0.642	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	112.1970	0.000	1	112.0530	0.106	4	111.7301	0.642	12	111.7301	0.642	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|O<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.6530	0.000	1	112.0530	0.106	4	111.7301	0.642	12	111.7301	0.642	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	4:3:2:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	112.2240	0.000	1	111.7540	0.442	2	111.7540	0.442	2	111.7540	0.442	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	4:3:2:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.2840	0.000	1	111.7540	0.442	2	111.7540	0.442	2	111.7540	0.442	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	4:3:4:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.9420	0.000	1	111.9420	0.000	1	111.8800	0.008	2	111.8800	0.008	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	4:3:4:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CHHN)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CHHN)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.8180	0.000	1	111.8180	0.000	1	111.8800	0.008	2	111.8800	0.008	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	4:4:1:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]N[5]2)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]N[5]2)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[5,6]O[5,6]C[5]C[6])	111.9515	0.105	2	111.9515	0.011	2	111.9515	0.011	2	111.9515	0.011	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	4:4:2:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.8910	0.000	1	111.8910	0.000	1	111.8570	0.002	2	111.8570	0.002	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:3:1:	4:4:2:1:	4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.8230	0.000	1	111.8230	0.000	1	111.8570	0.002	2	111.8570	0.002	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:2:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]O[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(O[6]C[6,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]O[6]HH)(H){1|C<4>,1|N<3>}	C[6](C[5,6]O[5,6]C[5]H)(O[6]C[6,6])(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.7610	0.000	1	110.7610	0.000	1	110.7610	0.000	1	110.7610	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:2:4:4:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]O[5,6]C[5]H)(O[6]O[6])(CHHO)(CH3)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(O[6]O[6])(CHHO)(CH3){2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:3:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	109.4510	0.000	1	109.4510	0.000	1	110.7217	1.014	14	110.8132	1.067	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:3:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.8195	0.977	13	110.8195	0.954	13	110.7217	1.014	14	110.8132	1.067	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:3:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	110.8132	1.067	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:3:2:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,4|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.2250	0.000	1	110.2250	0.000	1	110.2405	0.000	2	110.2405	0.000	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:3:2:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OH)(H){2|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.2560	0.000	1	110.2560	0.000	1	110.2405	0.000	2	110.2405	0.000	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:3:4:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){3|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.4760	0.188	2	110.4677	0.018	3	110.4677	0.018	3	110.4677	0.018	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:3:4:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){2|H<1>,4|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.4510	0.000	1	110.4677	0.018	3	110.4677	0.018	3	110.4677	0.018	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:3:4:4:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHO)(CH3)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHO)(CH3){3|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.2050	0.000	1	110.2050	0.000	1	110.2050	0.000	1	110.2050	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[6]BrH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[6]BrH)(H){3|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){2|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.6010	0.000	1	110.6010	0.000	1	110.6010	0.000	1	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|F<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.2825	0.110	2	111.2880	0.012	4	111.2309	0.012	11	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|F<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.2935	0.158	2	111.2880	0.012	4	111.2309	0.012	11	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.1983	0.102	7	111.1983	0.011	7	111.2309	0.012	11	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.1760	0.000	1	110.1760	0.000	1	110.8335	0.197	29	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.7050	0.000	1	110.5350	0.038	3	110.8335	0.197	29	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.4500	0.180	2	110.5350	0.038	3	110.8335	0.197	29	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.4780	0.112	2	110.4780	0.012	2	110.8335	0.197	29	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	111.2065	0.087	2	111.2065	0.008	2	110.8335	0.197	29	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	109.6570	0.000	1	109.6570	0.000	1	110.8335	0.197	29	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.4300	0.000	1	110.4300	0.000	1	110.8335	0.197	29	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.3630	0.000	1	110.3630	0.000	1	110.8335	0.197	29	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.1650	0.000	1	110.1650	0.000	1	110.8335	0.197	29	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	111.1875	0.278	2	111.1875	0.077	2	110.8335	0.197	29	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.9688	0.135	12	111.0688	0.058	15	110.8335	0.197	29	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.4690	0.086	3	111.0688	0.058	15	110.8335	0.197	29	110.9345	0.175	41	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H){1|S<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H){1|As<3>,1|S<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	104.8280	0.000	1	104.8280	0.000	1	107.4169	156.572	15	107.4169	156.572	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	62.6991	0.000	1	88.4921	1330.553	2	107.4169	156.572	15	107.4169	156.572	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	114.2850	0.000	1	88.4921	1330.553	2	107.4169	156.572	15	107.4169	156.572	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.6290	0.017	2	110.7029	0.277	8	107.4169	156.572	15	107.4169	156.572	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.9300	0.045	2	110.7029	0.277	8	107.4169	156.572	15	107.4169	156.572	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.1200	0.000	1	110.7029	0.277	8	107.4169	156.572	15	107.4169	156.572	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.4617	0.858	3	110.7029	0.277	8	107.4169	156.572	15	107.4169	156.572	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.1430	0.000	1	111.0140	0.013	3	107.4169	156.572	15	107.4169	156.572	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.9240	0.000	1	111.0140	0.013	3	107.4169	156.572	15	107.4169	156.572	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.9750	0.000	1	111.0140	0.013	3	107.4169	156.572	15	107.4169	156.572	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.7770	0.000	1	110.7770	0.000	1	107.4169	156.572	15	107.4169	156.572	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:4:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]CH)(CH3)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]CH)(CH3)(H){2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.3160	0.000	1	110.3160	0.000	1	110.3160	0.000	1	110.3160	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	2:4:4:1:	4:4:4:2:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H){2|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:2:4:1:	4:3:1:1:	4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]BrH)(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(Br)(H)	H(C[5,6]C[5,6a]O[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]BrH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,6a]O[5,6]C[6])	112.3105	0.148	2	112.3105	0.022	2	112.3105	0.022	2	111.9140	0.223	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:2:4:1:	4:3:1:1:	4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6a]O[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6a]O[5,6]C[6])	111.4240	0.000	1	111.4240	0.000	1	111.5175	0.017	2	111.9140	0.223	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:2:4:1:	4:3:1:1:	4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6a]C[6])(H)2	H(C[5,6]C[5,6a]O[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6a]O[5,6]C[6])	111.6110	0.000	1	111.6110	0.000	1	111.5175	0.017	2	111.9140	0.223	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	N[5]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	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)	C[6](C[5,6]O[5,6]N[5]H)(C[6]C[6a]C[6]H)(H)2	H(C[5,6]O[5,6]C[6]N[5])	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>}	C[6](C[5,6]O[5,6]N[5]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]O[5,6]C[6]N[5])	111.2850	0.025	2	111.2850	0.001	2	111.2850	0.001	2	111.2850	0.001	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:2:4:1:	4:4:3:3:	4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[5,6]HH)(COO)2	H(C[5,6]C[5,6a]O[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6])(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[5,6]HH)(COO)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6a]O[5,6]C[6])	112.0090	0.000	1	112.0090	0.000	1	112.0833	0.018	6	112.0833	0.018	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:2:4:1:	4:4:3:3:	4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]HH)(COO)2	H(C[5,6]C[5,6a]O[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[5,6a]O[5,6]C[6])	112.0982	0.145	5	112.0982	0.021	5	112.0833	0.018	6	112.0833	0.018	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5,6]-3:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H)2{1|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	110.4250	0.000	1	110.4250	0.000	1	110.4250	0.000	1	108.7698	4.568	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(H)2{5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.9537	1.025	4	108.9537	1.051	4	108.8648	0.828	5	108.7698	4.568	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.5090	0.000	1	108.5090	0.000	1	108.8648	0.828	5	108.7698	4.568	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6a]N[5,6]C[6])	110.4130	0.000	1	110.4130	0.000	1	110.4130	0.000	1	108.7698	4.568	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6a]N[5,6]C[6])	109.8160	0.000	1	109.8160	0.000	1	109.4857	0.146	3	108.7698	4.568	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]N[6]O)(H)2	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6a]N[5,6]C[6])	109.3205	0.359	2	109.3205	0.129	2	109.4857	0.146	3	108.7698	4.568	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[5,5a,6]-3:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5a,6]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,5a,6]C[5,6a]H)(C[6]C[6]H)(H)2	H(C[5,6]N[5,5a,6]C[5,6a]C[6])	C[5,6](N[5,5a,6]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6](C[5,6]N[5,5a,6]C[5,6a]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<3>}	H(C[5,6]N[5,5a,6]C[5,6a]C[6])	102.8490	0.000	1	102.8490	0.000	1	102.8490	0.000	1	108.7698	4.568	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:3:2:1:	4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(H){2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,7|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.2000	0.000	1	109.2000	0.000	1	109.2000	0.000	1	108.6930	0.245	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:3:2:1:	4:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.5440	0.603	3	108.6085	0.234	6	108.6085	0.234	6	108.6930	0.245	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:3:2:1:	4:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.6730	0.458	3	108.6085	0.234	6	108.6085	0.234	6	108.6930	0.245	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(CCO)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(CCO)(H){1|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.7880	0.000	1	108.7880	0.000	1	108.7880	0.000	1	108.7880	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	109.1672	0.644	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.0495	0.346	2	108.0495	0.120	2	108.3863	0.400	3	109.1672	0.644	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]S[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]S[6])(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,2|C<3>,2|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(C[5,6]C[5,6]N[5,6]C[6])	109.0600	0.000	1	109.0600	0.000	1	108.3863	0.400	3	109.1672	0.644	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6]-3:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,6]S)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,6]S)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	109.1672	0.644	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.7970	0.000	1	108.7970	0.000	1	108.7970	0.000	1	109.1672	0.644	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]N[5,6]C[6])	109.9740	0.000	2	109.9740	0.000	2	109.9013	0.014	4	109.1672	0.644	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6a]C[6]H)(H)2	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]N[5,6]C[6])	109.7270	0.000	1	109.7270	0.000	1	109.9013	0.014	4	109.1672	0.644	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]CC)(H)2	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]CC)(H)2{5|C<3>}	H(C[5,6]C[5,6a]N[5,6]C[6])	109.9300	0.000	1	109.9300	0.000	1	109.9013	0.014	4	109.1672	0.644	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H){5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.3410	0.000	1	109.3410	0.000	1	109.3410	0.000	1	109.4940	1.220	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:4:2:1:	4:	N[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H)	H(C[5,6]N[5,5a]C[5,6]C[6])	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]N[5,5a]C[5,6]C[6])	111.3250	0.000	1	111.3250	0.000	1	111.3250	0.000	1	109.4940	1.220	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.9347	0.532	3	108.9347	0.283	3	108.9347	0.283	3	109.4940	1.220	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:3:4:1:	4:4:2:2:	4:	C[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:C-2:	C[5,6]-4:	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN)	H(C[5,6]C[5,5a]C[5,6]C[6])	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5a]C[5,6]C[6])	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	3:4:3:1:	4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(COO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(COO)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.9800	0.000	1	109.9800	0.000	1	109.9800	0.000	1	109.9800	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6])(H)2	H(C[5,6]N[5,6]C[6]O[5])	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>}	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6])(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[6]O[5])	109.2140	0.000	1	109.2140	0.000	1	109.2140	0.000	1	108.9865	1.184	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]N[5,6]C[6]O[5])	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>}	C[6](C[5,6]N[5,6]O[5]H)(O[6]C[6,6a])(H)2{2|C<3>,2|C<4>}	H(C[5,6]N[5,6]C[6]O[5])	109.6670	0.228	2	109.6670	0.052	2	109.6670	0.052	2	108.9865	1.184	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:2:1:1:	4:	S[5,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](S[5,6]C[5]C[6])(C[6]S[6]HH)(S[5]C[5])(H)	C[6](C[5,6]S[5,6]S[5]H)(S[6]C[6])(H)2	H(C[5,6]S[5,6]C[6]S[5])	C[5,6](S[5,6]C[5]C[6])(C[6]S[6]HH)(S[5]C[5])(H){1|C<4>,6|H<1>}	C[6](C[5,6]S[5,6]S[5]H)(S[6]C[6])(H)2{2|H<1>,3|C<4>}	H(C[5,6]S[5,6]C[6]S[5])	107.3980	0.000	1	107.3980	0.000	1	107.3980	0.000	1	108.9865	1.184	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:2:4:1:	4:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]N[5,5,6]O[5]H)(O[6]C[6])(CHHO)(H)	H(C[5,6]N[5,5,6]C[6]O[5])	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>}	C[6](C[5,6]N[5,5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[5,6]N[5,5,6]C[6]O[5])	108.3770	0.129	2	108.3770	0.017	2	108.3770	0.017	2	108.3770	0.017	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	108.7510	0.000	1	113.2580	40.626	2	113.2580	40.626	2	111.4356	12.929	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	117.7650	0.000	1	113.2580	40.626	2	113.2580	40.626	2	111.4356	12.929	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	111.4356	12.929	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[5,6a]-3:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(O[5,6]C[5,6])(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6]C[6,6]N[6])(H)2	H(C[5,6]C[5,6a]O[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(O[5,6]C[5,6])(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6]C[6,6]N[6])(H)2{2|C<4>,4|C<3>}	H(C[5,6]C[5,6a]O[5,6]C[6])	110.2230	0.000	1	110.2230	0.000	1	110.2230	0.000	1	111.4356	12.929	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6]H)(H)2	H(C[5,6]N[5,6]C[6]O[5])	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>}	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[6]O[5])	110.3170	0.000	1	110.3170	0.000	1	110.3170	0.000	1	111.4356	12.929	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:3:2:1:	4:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5a]-3:O[6]-2:H-1:	C[5,6]-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)	C[6](C[5,6]N[5,5,6]O[5]H)(N[5a]C[5a,6a]C[5a])(O[6]C[6])(H)	H(C[5,6]N[5,5,6]C[6]O[5])	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>}	C[6](C[5,6]N[5,5,6]O[5]H)(N[5a]C[5a,6a]C[5a])(O[6]C[6])(H){1|C<3>,2|H<1>,2|N<2>,4|C<4>}	H(C[5,6]N[5,5,6]C[6]O[5])	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:3:3:1:	4:	C[5,6a]-3:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[5,6]C[5,6a]O[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6a]O[5,6]C[6])	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	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)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]C)(CCHH)(H)	H(C[5,6]N[5,6]C[6]O[5])	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>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]C)(CCHH)(H){1|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[6]O[5])	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	107.6635	0.128	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	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)	C[6](C[5,6]N[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[5,6]N[5,6]C[6]O[5])	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>}	C[6](C[5,6]N[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	107.4110	0.000	1	107.4110	0.000	1	107.4110	0.000	1	107.6635	0.128	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	111.6825	0.172	2	111.6825	0.030	2	111.6825	0.030	2	109.7142	0.839	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2{1|C<4>,4|C<3>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.2450	0.000	1	109.2450	0.000	1	109.2450	0.000	1	109.7142	0.839	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6,6]S[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[5,6,6]C[6]S[5])	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(S[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]S[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]S[5])	111.5200	0.000	1	111.5200	0.000	1	111.5200	0.000	1	109.7142	0.839	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]S[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[6]S[5])	108.9870	0.996	2	108.9870	0.991	2	108.9870	0.991	2	109.7142	0.839	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6a]C[6]O[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[5,6]C[5,6,6a]C[6]O[5])	108.7560	0.000	1	108.7560	0.000	1	108.7560	0.000	1	109.7142	0.839	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5720	0.000	1	109.5720	0.000	1	109.5720	0.000	1	109.7142	0.839	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5,6]C[5])(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[3,5,6]C[5])(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.0975	0.497	2	109.0975	0.247	2	109.2023	0.157	3	109.7142	0.839	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.4120	0.000	1	109.4120	0.000	1	109.2023	0.157	3	109.7142	0.839	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]2H)(H)2	H(C[5,6]N[5,6]C[6]O[5])	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>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]2H)(H)2{2|C<3>,2|C<4>,2|H<1>,2|S<2>}	H(C[5,6]N[5,6]C[6]O[5])	109.6040	0.000	2	109.6040	0.000	2	109.5828	0.056	9	109.7142	0.839	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]N[5,6]C[6]O[5])	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>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	109.4165	0.070	2	109.4165	0.005	2	109.5828	0.056	9	109.7142	0.839	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[6]O[5])	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>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[6]O[5])	109.6070	0.245	2	109.6408	0.092	5	109.5828	0.056	9	109.7142	0.839	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[6]O[5])	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>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[5,6]N[5,6]C[6]O[5])	109.4430	0.110	2	109.6408	0.092	5	109.5828	0.056	9	109.7142	0.839	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[6]O[5])	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>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	110.1040	0.000	1	109.6408	0.092	5	109.5828	0.056	9	109.7142	0.839	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	108.2560	0.124	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]N[5,6]C[6]S[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5,6]N[5,6]C[6]S[5])	108.7210	0.000	1	108.2360	0.183	3	108.2360	0.183	3	108.2560	0.124	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]N[5,6]C[6]S[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]N[5,6]C[6]S[5])	107.9120	0.000	1	108.2360	0.183	3	108.2360	0.183	3	108.2560	0.124	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]N[5,6]C[6]S[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]N[5,6]C[6]S[5])	108.0750	0.000	1	108.2360	0.183	3	108.2360	0.183	3	108.2560	0.124	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(CCC)(H)	H(C[5,6]C[5,6,6a]C[6]O[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(CCC)(H){2|H<1>,3|C<3>}	H(C[5,6]C[5,6,6a]C[6]O[5])	108.5060	0.000	1	108.5060	0.000	1	108.5060	0.000	1	109.6125	2.449	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	O[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-3:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6]Pt)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OPtH)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6]Pt)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OPtH)(H){1|H<1>,1|O<3>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	109.6125	2.449	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]N[5])(C[6]C[6]CH)(O[5]S[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]CH)(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]N[5])(C[6]C[6]CH)(O[5]S[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]CH)(CH3)(H){1|H<1>,1|N<2>,1|S<4>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8740	0.000	1	109.8740	0.000	1	109.8740	0.000	1	109.4990	0.812	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5,6]2H)(CCHH)(H)	H(C[5,6]N[5,6]C[6]O[5])	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>}	C[6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5,6]2H)(CCHH)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]N[5,6]C[6]O[5])	110.5980	0.000	1	110.5980	0.000	1	110.5980	0.000	1	109.4990	0.812	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(CCHH)(H)	H(C[5,6]N[5,6]C[6]O[5])	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>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[6]O[5])	108.7620	0.000	2	108.7620	0.000	2	108.7620	0.000	2	109.4990	0.812	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[5a,6]HH)(N[5]C[5]C)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6]N[5]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[5a,6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	108.7250	0.000	1	108.7250	0.000	1	108.7250	0.000	1	105.4771	30.189	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]HH)(N[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]HH)(N[5]C[5]C)(H){1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	99.1333	0.000	1	99.1333	0.000	1	99.1333	0.000	1	105.4771	30.189	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	105.4771	30.189	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[6]O[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[6]O[6]HH)(C[5]C[5]H)(H){1|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.8870	0.030	2	112.8870	0.001	2	112.8870	0.001	2	112.8870	0.001	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]N[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]N[5,6]N[5]H)(N[6]C[6]H)(H)2	H(C[5,6]N[5,6]C[6]N[5])	C[5,6](N[5,6]C[5,5]C[6])(C[6]N[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]N[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5,6]N[5,6]C[6]N[5])	109.5490	0.000	1	109.5490	0.000	1	109.5490	0.000	1	109.5490	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]N[6]H)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]N[6]H)(C[5]C[5]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:3:3:4:	4:	C[5,6a]-3:C[6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5a]-3:C[5a]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a]2C[6])(C[5,6]C[6]O[5])(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[5a]C[5a]O[5a])2(C[6]C[6]HH)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a]2C[6])(C[5,6]C[6]O[5])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[5a]C[5a]O[5a])2(C[6]C[6]HH){1|O<2>,4|H<1>,7|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	106.7030	0.000	1	106.7030	0.000	1	106.7030	0.000	1	106.7030	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:3:4:4:	4:	C[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C)(C[6]C[5,6]CC)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C)(C[6]C[5,6]CC)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CH3)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5,6]HH)(H)2{6|C<3>}	H(C[5,6]C[5,6,6a]C[5]C[6])	106.5185	0.648	2	106.5185	0.420	2	106.5185	0.420	2	109.6167	4.643	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[3,6]HO)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[3,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.2660	0.778	2	110.2660	0.605	2	109.0528	1.220	9	109.6167	4.643	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.1560	0.000	1	108.6930	0.577	2	109.0528	1.220	9	109.6167	4.643	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.2300	0.000	1	108.6930	0.577	2	109.0528	1.220	9	109.6167	4.643	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.6400	0.926	2	107.6400	0.858	2	109.0528	1.220	9	109.6167	4.643	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.4257	0.234	3	109.4257	0.055	3	109.0528	1.220	9	109.6167	4.643	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6,6]C[5]C[6])	112.9800	0.000	1	112.9800	0.000	1	112.9800	0.000	1	109.6167	4.643	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.2527	0.551	3	112.2527	0.303	3	112.2527	0.303	3	109.6167	4.643	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:4:2:2:	4:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-2:C-2:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5]H)(CN)2	H(C[5,6]N[5,6]C[6]N[5])	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H){6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5]H)(CN)2{1|C<4>,1|N<3>,1|O<1>,6|C<3>}	H(C[5,6]N[5,6]C[6]N[5])	110.3890	0.000	1	110.3890	0.000	1	110.3890	0.000	1	110.3890	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]CH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]CH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.5000	0.683	2	109.5000	0.467	2	109.5000	0.467	2	110.7040	0.762	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H){1|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.2640	0.000	3	111.1856	0.012	5	111.1856	0.012	5	110.7040	0.762	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.0680	0.000	2	111.1856	0.012	5	111.1856	0.012	5	110.7040	0.762	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.3230	0.000	1	105.3230	0.000	1	106.1135	1.250	2	109.3050	2.179	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9040	0.000	1	106.9040	0.000	1	106.1135	1.250	2	109.3050	2.179	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.9755	0.217	2	109.9755	0.047	2	109.9755	0.047	2	109.3050	2.179	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]HH)(C[5]C[5]CC)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2{1|B<4>,1|H<1>,3|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	107.7130	0.259	2	107.7130	0.067	2	109.4639	1.071	10	109.3050	2.179	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,3|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	110.4270	0.000	1	109.6322	0.365	4	109.4639	1.071	10	109.3050	2.179	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.3673	0.357	3	109.6322	0.365	4	109.4639	1.071	10	109.3050	2.179	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]S[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]S[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,1|S<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1710	0.275	4	110.1710	0.076	4	109.4639	1.071	10	109.3050	2.179	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	111.5910	0.000	1	111.5910	0.000	1	109.9342	1.716	5	109.3050	2.179	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1240	0.000	1	110.1240	0.000	1	109.9342	1.716	5	109.3050	2.179	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	108.5460	0.000	1	108.5460	0.000	1	109.9342	1.716	5	109.3050	2.179	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7050	1.433	2	109.7050	2.052	2	109.9342	1.716	5	109.3050	2.179	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){1|N<2>,2|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,2|N<2>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	109.3050	2.179	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:2:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.6417	0.194	3	108.6417	0.038	3	108.6500	0.025	4	108.6500	0.025	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:2:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(OH)(H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.6750	0.000	1	108.6750	0.000	1	108.6500	0.025	4	108.6500	0.025	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6,6a]CH)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(CCHH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6,6a]CH)(H){1|C<4>,6|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(CCHH)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.4850	0.000	1	111.4850	0.000	1	111.4850	0.000	1	110.6475	1.403	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:4:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CH3)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	110.6475	1.403	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:4:4:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6790	0.238	2	107.6790	0.056	2	107.5523	0.076	3	107.5523	0.076	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	3:4:4:4:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.2990	0.000	1	107.2990	0.000	1	107.5523	0.076	3	107.5523	0.076	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.9130	0.000	1	112.9130	0.000	1	110.0335	2.780	6	110.3099	1.436	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]O[6]HH)(H){1|S<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.7370	0.000	1	107.7370	0.000	1	110.0335	2.780	6	110.3099	1.436	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.8325	0.459	2	109.8325	0.211	2	110.0335	2.780	6	110.3099	1.436	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[6])(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8240	0.000	1	109.8240	0.000	1	110.0335	2.780	6	110.3099	1.436	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(H){4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.0620	0.000	1	110.0620	0.000	1	110.0335	2.780	6	110.3099	1.436	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6,6a])(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.5380	0.000	1	108.5380	0.000	1	108.5380	0.000	1	110.3099	1.436	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.2122	1.132	6	110.2122	1.282	6	110.3493	1.200	7	110.3099	1.436	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.1720	0.000	1	111.1720	0.000	1	110.3493	1.200	7	110.3099	1.436	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.3400	0.150	2	112.3400	0.022	2	110.5728	0.941	12	110.3099	1.436	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	108.9960	0.000	1	108.9960	0.000	1	110.5728	0.941	12	110.3099	1.436	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.6730	0.000	1	109.6730	0.000	1	110.5728	0.941	12	110.3099	1.436	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	110.4406	0.305	8	110.4406	0.093	8	110.5728	0.941	12	110.3099	1.436	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:2:4:1:	4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]S[5]HH)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6,6a]C[5]H)(O[6]C[6])(CH3)(H)	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]S[5]HH)(C[6]O[6]CH)(H){3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]H)(O[6]C[6])(CH3)(H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6,6a]C[5]C[6])	106.9530	0.000	1	106.9530	0.000	1	106.9530	0.000	1	106.9530	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:2:4:4:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.7705	0.458	6	107.7705	0.210	6	107.7761	0.175	7	107.7761	0.175	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:2:4:4:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.8100	0.000	1	107.8100	0.000	1	107.7761	0.175	7	107.7761	0.175	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,5a]C[5,6]C[6])	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5a]C[5,6]C[6])	109.3480	0.000	1	109.3480	0.000	1	109.3480	0.000	1	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[3,6]O)(H)2	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[3,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6a]C[5]C[6])	109.4170	0.000	1	109.4170	0.000	1	109.4170	0.000	1	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:B[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]B[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]B[6]HH)(H){2|Si<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.7060	0.243	2	109.7060	0.059	2	109.7060	0.059	2	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6410	0.000	1	108.6410	0.000	1	109.3292	0.558	6	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2530	0.000	1	110.2530	0.000	1	109.3292	0.558	6	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3160	1.032	2	109.3160	1.066	2	109.3292	0.558	6	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.7920	0.000	1	108.7920	0.000	1	109.3292	0.558	6	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[6]O[5])(C[5]C[5]HN)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[6]O[5])(C[5]C[5]HN)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.6570	0.000	1	109.6570	0.000	1	109.3292	0.558	6	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|O<1>,1|S<4>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4590	0.000	1	108.4590	0.000	1	108.7524	0.292	5	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[4,6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[4,6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3660	0.000	1	108.3660	0.000	1	108.7524	0.292	5	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8810	0.000	1	108.9790	0.389	3	108.7524	0.292	5	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4100	0.000	1	108.9790	0.389	3	108.7524	0.292	5	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6460	0.000	1	108.9790	0.389	3	108.7524	0.292	5	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]BrH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(Br)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]BrH)(H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.3230	0.000	1	112.3230	0.000	1	112.3230	0.000	1	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.6800	0.000	1	112.4635	28.630	2	111.0503	12.229	4	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6a]C[5,6]C[6])	116.2470	0.000	1	112.4635	28.630	2	111.0503	12.229	4	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.6370	0.263	2	109.6370	0.069	2	111.0503	12.229	4	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.7025	0.279	2	111.7025	0.078	2	111.9123	0.085	4	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.1350	0.000	1	112.1220	0.000	2	111.9123	0.085	4	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.1090	0.000	1	112.1220	0.000	2	111.9123	0.085	4	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5,6]-3:C[6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(C[5,5]C[5]3)(H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[5,6]N[5,5,6]C[5,5]C[6])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(C[5,5]C[5]3)(H){1|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[5,6]N[5,5,6]C[5,5]C[6])	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>,3|O<1>}	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[5,6]C[5,6]N[5,5]C[6])	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){2|C<4>,3|C<3>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	111.1880	0.000	1	111.1880	0.000	1	111.1880	0.000	1	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:F-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]FH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(F)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(F)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.1370	0.000	1	112.1370	0.000	1	112.1370	0.000	1	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|F<1>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.3040	0.000	1	110.9189	0.120	10	110.0181	1.422	18	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.6540	0.109	4	110.9189	0.120	10	110.0181	1.422	18	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{3|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	111.0538	0.362	5	110.9189	0.120	10	110.0181	1.422	18	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5813	0.472	3	108.6278	0.249	5	110.0181	1.422	18	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6975	0.732	2	108.6278	0.249	5	110.0181	1.422	18	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6420	0.225	2	108.6420	0.051	2	110.0181	1.422	18	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]O)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]O)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.7140	0.000	1	110.7140	0.000	1	110.0181	1.422	18	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5,6]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.6240	0.000	1	109.6240	0.000	1	109.6240	0.000	1	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	110.0547	2.354	48	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H){1|C<4>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.5164	0.620	7	109.5164	0.385	7	109.5164	0.385	7	109.5584	0.381	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(H){3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,6|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.5940	0.000	1	110.5940	0.000	1	110.5940	0.000	1	109.5584	0.381	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H)	H(C[5,6]N[5,6,6]C[5,6]C[6])	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6,6]C[5,6]C[6])	109.6520	0.000	1	109.4845	0.056	2	109.4845	0.056	2	109.5584	0.381	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H)	H(C[5,6]N[5,6,6]C[5,6]C[6])	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|S<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6,6]C[5,6]C[6])	109.3170	0.000	1	109.4845	0.056	2	109.4845	0.056	2	109.5584	0.381	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.9640	0.000	1	108.9640	0.000	1	108.9640	0.000	1	109.5584	0.381	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:2:2:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:S[6]-2:O-2:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(S[6]C[6,6a])(OH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H){1|H<1>,7|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(S[6]C[6,6a])(OH){3|H<1>,7|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.4100	0.000	1	108.4100	0.000	1	108.4100	0.000	1	108.4100	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(COO)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(COO)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	109.5270	0.110	5	109.5270	0.012	5	109.5270	0.012	5	109.5270	0.012	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	109.9299	1.650	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]O[5]H)(C[6]C[6,6a]CH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]O[5]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.8910	0.000	1	108.8910	0.000	1	108.8910	0.000	1	109.9299	1.650	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]H)(CH3)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	109.9299	1.650	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.5980	0.000	1	111.5980	0.000	1	110.6978	0.391	6	109.9299	1.650	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.5178	0.496	5	110.5178	0.246	5	110.6978	0.391	6	109.9299	1.650	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:4:4:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2{2|C<4>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	105.4585	0.170	2	105.6867	0.171	3	105.6867	0.171	3	105.6867	0.171	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:3:4:4:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2{3|C<4>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	106.1430	0.000	1	105.6867	0.171	3	105.6867	0.171	3	105.6867	0.171	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	109.1400	0.000	1	109.1400	0.000	1	109.1400	0.000	1	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5a]C[5,6]C[6])	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[5,6]C[5,5a]C[5,6]C[6])	111.3760	0.000	1	111.3760	0.000	1	111.3760	0.000	1	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.9190	0.000	1	110.9190	0.000	1	110.8290	0.595	4	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5a,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5a,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.8770	0.000	1	111.8770	0.000	1	110.8290	0.595	4	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.2600	0.175	2	110.2600	0.031	2	110.8290	0.595	4	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6a]C[6]H)(H)2	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6,6a]C[5]C[6])	108.8520	0.000	1	108.8520	0.000	1	108.7315	0.029	2	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6a]C[5]C[6])	108.6110	0.000	1	108.6110	0.000	1	108.7315	0.029	2	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	109.4610	0.000	1	109.4610	0.000	1	109.1340	1.111	5	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	108.8760	0.187	2	108.8760	0.035	2	109.1340	1.111	5	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	110.6690	0.000	1	110.6690	0.000	1	109.1340	1.111	5	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]N[5,6]N[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	107.7880	0.000	1	107.7880	0.000	1	109.1340	1.111	5	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:B[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H){1|H<1>,2|O<2>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,1|P<4>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6])(C[5]C[5,5a]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6])(C[5]C[5,5a]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2{3|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	105.9240	0.000	1	105.9240	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8570	2.776	4	106.8570	7.709	4	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1980	0.000	1	109.1980	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4210	0.774	2	110.4210	0.598	2	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.5110	0.000	1	106.9450	0.377	2	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.3790	0.000	1	106.9450	0.377	2	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3135	0.043	2	107.3135	0.002	2	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H){1|Si<4>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.7085	0.175	2	109.7085	0.031	2	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3210	0.000	1	108.3210	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.4990	0.000	1	107.4990	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4690	0.000	1	108.4690	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1410	0.000	1	111.1410	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4340	0.000	1	109.1932	0.216	5	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2890	0.000	2	109.1932	0.216	5	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2430	0.000	1	109.1932	0.216	5	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7110	0.000	1	109.1932	0.216	5	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.4020	0.000	1	109.4020	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6520	0.000	1	109.6520	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.4610	0.000	1	108.4610	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CC)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.4290	0.000	1	107.4290	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CH)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.1790	0.000	1	107.1790	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Si<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(H)2{2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.2610	0.283	4	109.2610	0.080	4	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.8670	0.000	1	108.8670	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.4397	0.102	3	108.4397	0.010	3	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7360	0.000	1	108.7360	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1230	0.000	1	108.1230	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|W<7>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,1|W<7>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7620	0.000	1	109.7620	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HW)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HW)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,1|W<7>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.7780	0.000	1	105.7780	0.000	1	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.7777	0.762	3	107.7777	0.580	3	108.4141	2.158	43	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]S[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[5,6]OO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]S[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[5,6]OO)(H)2{1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0785	0.078	2	110.0785	0.006	2	110.0785	0.006	2	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5])(C[6]C[4x6]HH)(C[5]C[5]HH)(H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[5])(C[6]C[4x6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5210	0.000	1	109.5210	0.000	1	109.5210	0.000	1	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3520	0.000	1	107.3520	0.000	1	107.4725	0.029	2	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5930	0.000	1	107.5930	0.000	1	107.4725	0.029	2	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H){1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.1230	0.000	1	109.1230	0.000	1	109.1230	0.000	1	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[4x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[4x6]HH)(H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5,6]C[5,6a]C[5,6]H)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[4x6]HH)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5,6]C[5,6a]C[5,6]H)(H)2{1|O<1>,2|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	105.4300	0.000	2	105.4300	0.000	2	105.4300	0.000	2	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]N[6]H)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.9040	0.000	1	110.9040	0.000	1	110.9040	0.000	1	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,6]O[5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[3,6]CH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,6]O[5]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[3,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.4267	0.287	3	109.4267	0.082	3	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4]O[5]O[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4]O[5]O[6])(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.6470	0.000	1	109.6470	0.000	1	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.8770	0.000	1	107.8770	0.000	1	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.6640	0.000	1	108.6640	0.000	1	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	102.6030	0.000	1	102.6030	0.000	1	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.4398	1.353	4	107.4398	1.830	4	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.5880	0.000	1	109.5880	0.000	1	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5a,6]HH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5a,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.9140	0.000	1	109.9140	0.000	1	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.3790	0.000	1	108.3790	0.000	1	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]N)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]N)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.9310	0.000	1	109.9310	0.000	1	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.5580	1.680	4	108.3960	2.249	5	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.7480	0.000	1	108.3960	2.249	5	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.1735	1.675	2	110.1735	2.806	2	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.6980	0.000	1	111.6980	0.000	1	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.4530	0.000	1	110.4530	0.000	1	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.6890	0.000	1	112.6890	0.000	1	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.3805	0.370	2	110.3805	0.137	2	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CO)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.9720	0.000	1	110.9720	0.000	1	109.0551	4.008	28	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]C[5,6a]C[5,6]H)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]C[5,6a]C[5,6]H)(H)2{1|C<4>,1|O<1>,2|H<1>,6|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]HI)(H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(H)(I)	H(C[5,6]N[5,5,6]C[5,5]C[6])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]HI)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(H)(I){2|H<1>,3|C<3>,4|C<4>}	H(C[5,6]N[5,5,6]C[5,5]C[6])	107.3070	0.000	1	107.3070	0.000	1	107.3070	0.000	1	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,5,6]C[5]C[6])	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]N[5,5,6]C[5]C[6])	109.5550	0.000	1	109.2870	0.072	3	109.2870	0.072	3	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,5,6]C[5]C[6])	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]N[5,5,6]C[5]C[6])	109.1530	0.190	2	109.2870	0.072	3	109.2870	0.072	3	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,5]C[6])	109.8330	0.000	1	109.8330	0.000	1	109.7480	0.014	2	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,5]C[6])	109.6630	0.000	1	109.6630	0.000	1	109.7480	0.014	2	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,5a]C[5,6]C[6])	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]N[5,5a]C[5,6]C[6])	111.2440	0.000	1	111.2440	0.000	1	111.2440	0.000	1	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6,6]C[5,6]C[6])	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6,6]C[5,6]C[6])	110.3790	0.215	2	110.3790	0.046	2	110.3790	0.046	2	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]N[6]CO)(H)2	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]N[6]CO)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]S[6]2)(H)2	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|S<2>,4|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]S[6]2)(H)2{4|H<1>,5|C<4>}	H(C[5,6]N[5,6,6]C[5]C[6])	109.6890	0.000	2	109.8277	0.058	3	109.8277	0.058	3	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]S[6]2)(H)2	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){2|S<2>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]S[6]2)(H)2{4|H<1>,5|C<4>}	H(C[5,6]N[5,6,6]C[5]C[6])	110.1050	0.000	1	109.8277	0.058	3	109.8277	0.058	3	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5,5]C[5]2S[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[5,5]C[5]2S[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5]N[5,6]C[6])	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(Br)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	109.8505	0.899	4	110.0981	0.480	8	108.6802	1.950	18	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	110.3457	0.385	4	110.0981	0.480	8	108.6802	1.950	18	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|Ga<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.6430	0.614	2	107.6430	0.377	2	108.6802	1.950	18	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|In<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.6505	0.274	4	107.6505	0.075	4	108.6802	1.950	18	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]In[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]In[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.3928	0.164	4	107.3928	0.027	4	108.6802	1.950	18	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	111.4160	0.000	1	111.4160	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8390	0.000	1	108.8390	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.2910	0.000	1	110.2910	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8610	0.000	1	108.8610	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.2070	0.463	4	110.2070	0.214	4	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.8180	0.000	1	110.8180	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.8030	0.000	1	111.8030	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.3600	0.027	2	110.3563	3.368	12	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.5255	0.367	2	110.3563	3.368	12	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.0258	2.610	6	110.3563	3.368	12	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1750	0.209	2	110.3563	3.368	12	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]N[5,6]C[5]C[6])	111.6290	0.000	1	111.6290	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.1335	0.624	2	111.1335	0.390	2	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0685	0.387	2	109.0685	0.150	2	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.1930	0.000	3	110.1017	2.969	9	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.5560	1.918	6	110.1017	2.969	9	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7325	0.060	2	109.7325	0.004	2	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.9910	0.000	1	109.9910	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.2770	0.000	1	106.1075	2.735	2	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	104.9380	0.000	1	106.1075	2.735	2	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	107.4250	0.000	1	107.4250	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.0590	0.000	1	108.5065	0.611	2	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.9540	0.000	1	108.5065	0.611	2	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]ClC)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]ClC)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.0970	0.000	1	110.0970	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.3810	0.000	1	108.9890	0.307	2	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5970	0.000	1	108.9890	0.307	2	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7730	0.000	1	109.7730	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6720	0.000	1	108.5691	0.056	8	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.1420	0.000	1	108.5691	0.056	8	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5060	0.000	1	108.5691	0.056	8	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6513	0.235	4	108.5691	0.056	8	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6280	0.000	1	108.5691	0.056	8	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.9660	0.000	1	108.9660	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.3190	0.000	1	108.3190	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.2290	0.000	1	109.2290	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Al<4>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.3355	0.185	2	109.3128	0.792	6	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0800	0.000	1	109.3128	0.792	6	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Ir<6>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1355	0.561	2	109.3128	0.792	6	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Rh<6>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8550	0.000	1	109.3128	0.792	6	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]N[5,6]C[5]C[6])	103.4350	0.000	1	103.4350	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.9420	0.000	1	109.9420	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]S[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]CH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]S[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.9100	0.000	1	109.9100	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]N[5,6]C[5]C[6])	111.7890	0.000	1	111.7890	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.8360	0.000	1	109.8360	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.0020	0.000	1	107.8620	9.159	2	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	105.7220	0.000	1	107.8620	9.159	2	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.0690	0.000	1	110.0690	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1720	0.000	1	109.1720	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]S[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]S[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7180	0.000	1	109.7180	0.000	1	109.5277	2.749	75	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	113.0810	0.000	1	113.0810	0.000	1	107.9744	3.724	12	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.5030	0.684	2	107.0470	0.236	9	107.9744	3.724	12	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.9167	0.384	7	107.0470	0.236	9	107.9744	3.724	12	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]CH)(H)(I)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]CH)(H)(I){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.5945	0.121	2	109.5945	0.015	2	107.9744	3.724	12	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.5645	0.462	2	110.5645	0.213	2	110.5645	0.213	2	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[6]C[3,6]HH)(C[5]C[5]HH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[6]C[3,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.5870	0.110	2	111.5870	0.012	2	111.5870	0.012	2	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.3840	0.000	1	111.3840	0.000	1	108.8992	2.207	5	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.9410	0.000	1	107.9410	0.000	1	108.8992	2.207	5	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.9860	0.000	1	108.5875	0.724	2	108.8992	2.207	5	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|N<3>,2|H<1>,7|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.1890	0.000	1	108.5875	0.724	2	108.8992	2.207	5	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]2C[6])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]2C[6])(H)2{2|C<4>,3|C<3>,8|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.9960	0.000	1	107.9960	0.000	1	108.8992	2.207	5	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.8590	0.000	1	107.8590	0.000	1	108.3630	0.433	3	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.1070	0.000	1	109.1070	0.000	1	108.3630	0.433	3	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]N[5]S[6])(C[6]C[6,6]HH)(C[5]C[5]CC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]N[5]S[6])(C[6]C[6,6]HH)(C[5]C[5]CC)(H){1|H<1>,2|O<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<2>,1|S<4>,2|C<4>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.1230	0.000	1	108.1230	0.000	1	108.3630	0.433	3	109.0907	2.833	227	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[5,6,6a]-3:C[6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[4x6]HO)(C[5]C[5]CH)(H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6]C[5,6,6a]C[5]H)(OH)(H)	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[4x6]HO)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6]C[5,6,6a]C[5]H)(OH)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6a]C[5]C[6])	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.3400	0.000	3	105.3400	0.000	3	105.3400	0.000	3	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]N[5,6,6]C[5,6]C[6])	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6,6]C[5,6]C[6])	108.9260	0.000	1	108.9260	0.000	1	107.9984	0.212	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[5,6]N[5,6,6]C[5,6]C[6])	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H){1|I<1>,4|C<4>,7|H<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	H(C[5,6]N[5,6,6]C[5,6]C[6])	107.9404	0.406	16	107.9404	0.165	16	107.9984	0.212	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.0018	0.308	4	108.0018	0.095	4	108.2345	0.193	6	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<1>,2|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.7000	0.171	2	108.7000	0.029	2	108.2345	0.193	6	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.6190	0.000	1	111.6190	0.000	1	109.3036	1.157	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.0740	0.000	1	108.0740	0.000	1	109.3036	1.157	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	108.8270	0.000	1	108.8270	0.000	1	109.3036	1.157	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.0820	0.000	1	108.0820	0.000	1	109.3036	1.157	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.7820	0.000	1	108.7820	0.000	1	109.3036	1.157	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8810	0.000	1	108.3015	0.672	2	109.3036	1.157	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	107.7220	0.000	1	108.3015	0.672	2	109.3036	1.157	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.2397	0.401	3	109.2397	0.161	3	109.3036	1.157	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.7680	0.000	1	108.6940	0.011	2	109.3036	1.157	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	108.6200	0.000	1	108.6940	0.011	2	109.3036	1.157	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.4430	0.000	1	110.4430	0.000	1	109.3036	1.157	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.5160	0.000	1	110.5160	0.000	1	109.3036	1.157	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.9830	0.000	1	110.0363	0.751	3	109.3036	1.157	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.5630	0.397	2	110.0363	0.751	3	109.3036	1.157	17	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.2850	0.000	1	109.2850	0.000	1	109.2060	0.012	2	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1270	0.000	1	109.1270	0.000	1	109.2060	0.012	2	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7490	0.000	1	109.7490	0.000	1	110.0173	0.083	3	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.1515	0.240	2	110.1515	0.057	2	110.0173	0.083	3	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HO)(C[5]C[5]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HO)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.1250	0.137	3	109.1250	0.019	3	109.1250	0.019	3	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:S[5]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5]OO)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]N[5,6]C[6]S[5])	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>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|O<1>}	H(C[5,6]N[5,6]C[6]S[5])	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	108.5255	1.497	54	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1103	0.446	3	108.1103	0.199	3	107.7507	0.255	8	107.6960	3.908	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6]O)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6]O)(CCH)(H){1|N<2>,1|N<3>,2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.3700	0.272	4	107.3700	0.074	4	107.7507	0.255	8	107.6960	3.908	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(COO)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1950	0.000	1	108.1950	0.000	1	107.7507	0.255	8	107.6960	3.908	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]CH)(C[5]O[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8600	0.000	1	106.8600	0.000	1	106.8600	0.000	1	107.6960	3.908	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]CH)(CC[6a]O)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]CH)(CC[6a]O)(H){1|O<2>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	107.6960	3.908	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]CH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]N[6]O[6])(COO)(H)	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]CH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]N[6]O[6])(COO)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	105.9050	0.000	1	105.9050	0.000	1	105.9050	0.000	1	107.6960	3.908	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|I<1>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.3390	0.000	1	109.8150	1.640	3	109.2143	2.537	4	107.6960	3.908	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.5530	0.107	2	109.8150	1.640	3	109.2143	2.537	4	107.6960	3.908	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CCN)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CCN)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.4120	0.000	1	107.4120	0.000	1	109.2143	2.537	4	107.6960	3.908	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H){2|H<1>,4|C<3>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	106.6120	0.000	1	106.6120	0.000	1	106.6120	0.000	1	107.6960	3.908	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	107.6960	3.908	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	105.5468	2.778	4	105.5468	7.715	4	105.5468	7.715	4	107.6960	3.908	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	O[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-3:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6]Pt)(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OPtH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6]Pt)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OPtH)(H){1|C<4>,1|O<2>,1|O<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.0040	0.000	1	111.0040	0.000	1	111.0040	0.000	1	107.6960	3.908	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:3:4:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[5]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5]O[6]H)(CH3)(H)	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5]O[6]H)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6a]C[5]C[6])	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	111.2210	0.000	1	111.2210	0.000	1	111.2210	0.000	1	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.0800	0.181	2	112.0800	0.033	2	111.0743	4.434	10	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.4100	0.511	5	112.4100	0.261	5	111.0743	4.434	10	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3420	0.000	1	108.3420	0.000	1	111.0743	4.434	10	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(CH3)(H){2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.2510	0.000	1	109.2510	0.000	1	111.0743	4.434	10	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9400	0.000	1	106.9400	0.000	1	111.0743	4.434	10	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.3680	0.182	2	111.3680	0.033	2	111.7757	0.515	3	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CHHN)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.5910	0.000	1	112.5910	0.000	1	111.7757	0.515	3	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:P-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(PC[6a]2S)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(PC[6a]2S)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.7137	0.272	3	107.7137	0.074	3	107.7137	0.074	3	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H)	H(C[5,6]N[5,5,6]C[5,5]C[6])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H){1|I<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]N[5,5,6]C[5,5]C[6])	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6,6]C[5]C[6])	109.7830	0.000	2	109.5227	0.203	3	109.4165	0.181	4	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|I<1>,2|H<1>,4|C<4>}	H(C[5,6]N[5,6,6]C[5]C[6])	109.0020	0.000	1	109.5227	0.203	3	109.4165	0.181	4	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]N[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]N[5]HH)(C[6]C[6]CH)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	109.0980	0.000	1	109.0980	0.000	1	109.4165	0.181	4	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.1170	0.000	1	111.1170	0.000	1	110.5315	0.194	4	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(CC[6a]HH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(CC[6a]HH)(H){3|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.4805	0.037	2	110.4805	0.001	2	110.5315	0.194	4	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.0480	0.000	1	110.0480	0.000	1	110.5315	0.194	4	110.2804	3.241	27	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:2:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5303	2.095	3	110.5303	4.391	3	110.5303	4.391	3	110.5303	4.391	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H)	C[6](C[5,6]N[5,6]C[5]H)(S[6]C[6]OO)(CC[6a]HH)(COO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(S[6]C[6]OO)(CC[6a]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.1943	0.120	3	108.1943	0.014	3	108.1943	0.014	3	108.1943	0.014	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7650	0.000	1	107.7650	0.000	1	107.7650	0.000	1	106.2922	0.732	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:S-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)2{2|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0040	0.000	1	106.0040	0.000	1	106.0040	0.000	1	106.2922	0.732	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]CC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{3|C<3>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	105.1870	0.000	1	105.1870	0.000	1	105.9960	0.352	4	106.2922	0.732	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]CC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|N<3>,2|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	106.0890	0.000	1	106.0890	0.000	1	105.9960	0.352	4	106.2922	0.732	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.0930	0.000	1	106.3540	0.136	2	105.9960	0.352	4	106.2922	0.732	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.6150	0.000	1	106.3540	0.136	2	105.9960	0.352	4	106.2922	0.732	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:2:1:	4:3:1:1:	4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[5a,6]C[5a,6]2)(H)2	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[5a,6]C[5a,6]2)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:N-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[3,6]HN)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(NN)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](C[6]C[3,6]HN)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(NN)(H){1|H<1>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	109.9880	0.000	1	109.9880	0.000	1	109.9880	0.000	1	110.3274	0.756	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OC)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OC)(H){1|H<1>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.1560	0.459	4	110.1560	0.210	4	110.2752	0.789	9	110.3274	0.756	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.3706	1.181	5	110.3706	1.394	5	110.2752	0.789	9	110.3274	0.756	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.6463	0.874	6	110.6463	0.764	6	110.6463	0.764	6	110.3274	0.756	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	110.3274	0.756	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6]CH)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CHHO)(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](C[6]C[6,6]CH)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:3:1:	4:3:3:1:	4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	112.0230	0.000	1	112.0610	0.007	3	112.0610	0.007	3	112.0610	0.007	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:3:1:	4:3:3:1:	4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|O<1>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	112.0060	0.000	1	112.0610	0.007	3	112.0610	0.007	3	112.0610	0.007	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:3:1:	4:3:3:1:	4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	112.1540	0.000	1	112.0610	0.007	3	112.0610	0.007	3	112.0610	0.007	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[5,6]O[5,6]C[5]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	111.1420	0.000	1	111.1420	0.000	1	111.1420	0.000	1	111.4815	0.231	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]H)(H)2{3|C<3>,4|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	111.8210	0.000	1	111.8210	0.000	1	111.8210	0.000	1	111.4815	0.231	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	110.6610	0.071	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.8543	0.146	3	110.8543	0.021	3	110.8543	0.021	3	110.6610	0.071	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CC)(H){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	109.4870	0.000	1	109.4870	0.000	1	110.6544	0.073	66	110.6610	0.071	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.1250	0.000	1	110.1250	0.000	1	110.6544	0.073	66	110.6610	0.071	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]O[5,6]C[5]C[6])	110.9008	0.159	4	110.8513	0.021	6	110.6544	0.073	66	110.6610	0.071	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]O[5,6]C[5]C[6])	110.7525	0.013	2	110.8513	0.021	6	110.6544	0.073	66	110.6610	0.071	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.7365	0.006	2	110.6633	0.048	58	110.6544	0.073	66	110.6610	0.071	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.6608	0.218	53	110.6633	0.048	58	110.6544	0.073	66	110.6610	0.071	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.6593	0.367	3	110.6633	0.048	58	110.6544	0.073	66	110.6610	0.071	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	3:4:2:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.8020	0.000	1	110.8020	0.000	1	110.8020	0.000	1	110.3855	0.347	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	3:4:2:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	110.3855	0.347	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	3:4:4:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]CH)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]CH)(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.4490	0.412	3	110.4490	0.170	3	110.4490	0.170	3	110.4490	0.170	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:2:1:1:	4:	C[3,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:O[6]-2:F-1:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]FH)(H)	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(F)(H)	H(C[5,6]C[3,5]O[5,6]C[6])	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]FH)(H){1|C<4>,2|H<1>}	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(F)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[3,5]O[5,6]C[6])	110.9252	1.657	5	110.9252	2.746	5	110.9252	2.746	5	111.2419	2.485	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:2:1:1:	4:	C[3,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]HH)(H)	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(H)2	H(C[5,6]C[3,5]O[5,6]C[6])	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]HH)(H){1|C<4>,2|H<1>}	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(H)2{1|F<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[3,5]O[5,6]C[6])	111.5586	1.610	5	111.5586	2.594	5	111.5586	2.594	5	111.2419	2.485	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	110.2790	0.000	1	110.2790	0.000	1	109.4640	1.328	2	109.4640	1.328	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.6490	0.000	1	108.6490	0.000	1	109.4640	1.328	2	109.4640	1.328	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:2:4:4:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[5,6])(CH3)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[5,6])(CH3)2{1|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.7290	0.000	1	110.7290	0.000	1	110.7290	0.000	1	110.7290	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[5,6]C[5,5]O[5,6]C[6])	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	110.5133	3.434	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]O[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]O[5,6]C[6])	110.6220	0.000	1	110.1075	0.529	2	110.1075	0.529	2	110.5133	3.434	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]O[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,6]O[5,6]C[6])	109.5930	0.000	1	110.1075	0.529	2	110.1075	0.529	2	110.5133	3.434	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	113.3050	0.000	1	111.6005	5.811	2	111.6005	5.811	2	110.5133	3.434	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.8960	0.000	1	111.6005	5.811	2	111.6005	5.811	2	110.5133	3.434	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	109.6105	0.340	2	109.6105	0.116	2	109.6105	0.116	2	110.5133	3.434	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	H(C[5,6]O[5,6]C[5]C[6])	113.9160	0.000	1	113.9160	0.000	1	113.9160	0.000	1	110.5133	3.434	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	P[5,6]-4:S[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](P[5,6]C[5,6a]C[6]S)(S[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]P[5,6]S[5]H)(C[6]C[6]C)(H)2	H(C[5,6]P[5,6]C[6]S[5])	C[5,6](P[5,6]C[5,6a]C[6]S)(S[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]P[5,6]S[5]H)(C[6]C[6]C)(H)2{1|S<1>,2|C<3>,2|C<4>}	H(C[5,6]P[5,6]C[6]S[5])	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	110.5133	3.434	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,3x6]C[6]O[5])	109.7503	0.354	3	109.7503	0.125	3	108.9189	3.830	17	109.0653	3.386	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,3x6]C[6]O[5])	108.7407	2.122	14	108.7407	4.501	14	108.9189	3.830	17	109.0653	3.386	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(OC)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(OC)(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,5]O[5,6]C[6])	110.5350	0.000	1	110.5350	0.000	1	110.5350	0.000	1	109.0653	3.386	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	109.5750	0.071	2	109.5750	0.005	2	109.5750	0.005	2	109.0653	3.386	20	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:3:1:	4:	C[5,5,6]-4:N[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(COO)(H)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.2150	0.000	1	109.2150	0.000	1	109.2150	0.000	1	109.2150	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(CH3)(H)	H(C[5,6]C[5,6]O[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(CH3)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5,6]C[6])	110.2470	0.000	1	110.2470	0.000	1	110.2470	0.000	1	110.6991	0.400	8	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	109.8930	0.267	2	109.8930	0.071	2	109.8930	0.071	2	110.6991	0.400	8	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>,3|O<2>}	H(C[5,6]O[5,6]C[5]C[6])	111.2360	0.000	1	111.1430	0.017	2	111.1120	0.093	5	110.6991	0.400	8	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.0500	0.000	1	111.1430	0.017	2	111.1120	0.093	5	110.6991	0.400	8	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|N<2>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.0913	0.420	3	111.0913	0.176	3	111.1120	0.093	5	110.6991	0.400	8	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:4:4:	4:	C[5,5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(CH3)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	104.9040	0.000	1	104.9040	0.000	1	104.9040	0.000	1	105.7207	0.580	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:4:4:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2{1|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	106.4120	0.000	1	106.1290	0.160	2	106.1290	0.160	2	105.7207	0.580	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:3:4:4:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	105.8460	0.000	1	106.1290	0.160	2	106.1290	0.160	2	105.7207	0.580	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5]N[5,6]C[6])	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	110.4674	8.863	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{6|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	103.9070	0.000	1	103.9070	0.000	1	106.3265	11.708	2	110.4674	8.863	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.7460	0.000	1	108.7460	0.000	1	106.3265	11.708	2	110.4674	8.863	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]O[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]O[5,6]C[6])	111.6640	0.000	1	111.6640	0.000	1	110.4070	3.160	2	110.4674	8.863	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]O[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5,6]C[6])	109.1500	0.000	1	109.1500	0.000	1	110.4070	3.160	2	110.4674	8.863	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.2015	0.311	4	111.4756	25.930	5	111.2807	20.972	6	110.4674	8.863	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	120.5720	0.000	1	111.4756	25.930	5	111.2807	20.972	6	110.4674	8.863	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.3060	0.000	1	110.3060	0.000	1	111.2807	20.972	6	110.4674	8.863	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[5]C[5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	111.2010	0.000	1	111.2010	0.000	1	111.2010	0.000	1	110.4674	8.863	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[5,6]O[5,6]C[5]H)(F)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[5,6]O[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.4193	1.886	4	111.4193	3.558	4	111.2318	4.253	6	110.4674	8.863	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(F)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.8570	3.189	2	110.8570	10.170	2	111.2318	4.253	6	110.4674	8.863	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.0750	0.000	1	111.0750	0.000	1	111.0750	0.000	1	110.4674	8.863	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H){1|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	109.3830	0.253	2	109.3830	0.064	2	109.6863	0.308	3	110.4674	8.863	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.2930	0.000	1	110.2930	0.000	1	109.6863	0.308	3	110.4674	8.863	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	110.6008	1.049	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5]N[5,5,6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5]N[5,5,6])(C[6]C[6]HO)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.8690	2.348	2	110.8690	5.511	2	110.8690	5.511	2	110.6008	1.049	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.4760	0.634	2	110.4760	0.401	2	110.4760	0.401	2	110.6008	1.049	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.9746	0.637	5	110.9746	0.406	5	110.9746	0.406	5	110.6008	1.049	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	109.2750	0.000	1	109.2750	0.000	1	110.0880	1.322	2	110.6008	1.049	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.9010	0.000	1	110.9010	0.000	1	110.0880	1.322	2	110.6008	1.049	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:2:2:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2{2|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	109.6490	0.268	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	109.6490	0.268	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(CHHO)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	109.2523	0.322	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,4|C<4>}	H(C[5,6]C[5,5]O[5,6]C[6])	108.9575	0.070	2	108.9575	0.005	2	108.9575	0.005	2	109.2523	0.322	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:N[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,5]HH)(N[5,6]C[5,6])(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,5]HH)(N[5,6]C[5,6])(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H){2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	109.2523	0.322	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:4:2:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	110.0515	0.515	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH){1|O<1>,3|O<2>,4|H<1>,5|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.5590	0.000	1	110.5590	0.000	1	110.5590	0.000	1	110.0515	0.515	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[3,6]C[6])(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[3,6]HH)(CH3)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,4x6]C[3,6]C[6])(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[3,6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	105.7620	0.375	3	105.7620	0.140	3	106.4287	2.109	8	106.4287	2.109	8	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	105.4290	0.095	2	105.5600	0.056	3	106.4287	2.109	8	106.4287	2.109	8	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|H<1>,1|I<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	105.8220	0.000	1	105.5600	0.056	3	106.4287	2.109	8	106.4287	2.109	8	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[5]C[5,6,6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[5]C[5,6,6])(C[6]C[6]CC)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.0180	0.000	1	109.0180	0.000	1	106.4287	2.109	8	106.4287	2.109	8	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:2:4:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(O[5]C[5,6,6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(O[5]C[5,6,6])(C[6]C[6]CC)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2{1|C<3>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.4460	0.000	1	108.4460	0.000	1	106.4287	2.109	8	106.4287	2.109	8	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:3:1:	3:4:3:3:	4:	C[6]-4:C[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]N[5]O)(H){1|C<4>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2{1|N<3>,1|O<1>,5|H<1>,8|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(N[5,6]C[5,6]C)(C[5]C[5]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[6]C[6]N[5]H)(N[5,6]C[5,6]C)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.0513	0.329	3	112.0513	0.108	3	112.0513	0.108	3	112.0513	0.108	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:3:1:	4:4:3:3:	4:	C[6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:C-3:	C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[6]S[5])(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[6]S[5])(C[5]C[5]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.2530	0.000	1	105.2530	0.000	1	105.2530	0.000	1	105.2530	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	111.1657	0.904	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5205	0.164	6	111.5205	0.027	6	111.5205	0.027	6	111.1657	0.904	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HO)(N[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HO)(N[5,6]C[5,6]O)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.8740	0.000	1	110.8740	0.000	1	110.8740	0.000	1	110.8740	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[3,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]C)(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H)	C[6](C[5,6]C[3,5]C[5,6]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[3,5]C[5,6]C[6])	C[5,6](C[3,5]C[3,5]C[3]C)(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[3,5]C[5,6]H)(O[6]C[6,6a])(H)2{3|C<3>,3|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6])	107.9470	0.731	2	107.9470	0.535	2	107.8210	0.315	3	109.2240	2.751	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[3,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[6a]C[3])(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H)	C[6](C[5,6]C[3,5]C[5,6]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[3,5]C[5,6]C[6])	C[5,6](C[3,5]C[3,5]C[6a]C[3])(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H){4|C<3>,4|H<1>}	C[6](C[5,6]C[3,5]C[5,6]H)(O[6]C[6,6a])(H)2{2|C<4>,4|C<3>}	H(C[5,6]C[3,5]C[5,6]C[6])	107.5690	0.000	1	107.5690	0.000	1	107.8210	0.315	3	109.2240	2.751	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(O[6]C[6])(H)2	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(C[6]O[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	109.2240	2.751	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6]O[6]HH)(H){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.3460	0.000	1	108.3460	0.000	1	108.3460	0.000	1	109.2240	2.751	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.0665	0.186	2	109.0665	0.035	2	109.0665	0.035	2	109.2240	2.751	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7300	0.000	1	109.7300	0.000	1	109.7300	0.000	1	109.2240	2.751	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.0885	0.110	2	112.0885	0.012	2	112.0885	0.012	2	109.2240	2.751	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[3x5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]BrH)(H)	C[6](C[5,6]C[3x5,6]C[5,6a]H)(C[6]C[6]O)(Br)(H)	H(C[5,6]C[3x5,6]C[5,6a]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]BrH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6](C[5,6]C[3x5,6]C[5,6a]H)(C[6]C[6]O)(Br)(H){1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[3x5,6]C[5,6a]C[6])	109.7825	1.336	2	109.7825	1.784	2	109.7825	1.784	2	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(H)2	H(C[5,6]C[5,5,6]C[5,5a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(H)2{2|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,5a]C[6])	109.5480	0.000	1	109.5480	0.000	1	109.5480	0.000	1	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]C[5,6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HH)(H){1|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	112.7313	0.096	3	112.7313	0.009	3	112.7313	0.009	3	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]O)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.7250	0.000	1	108.7250	0.000	1	110.0345	0.972	4	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.8360	0.000	1	109.8360	0.000	1	110.0345	0.972	4	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.7885	0.156	2	110.7885	0.024	2	110.0345	0.972	4	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	113.4060	0.000	2	113.4060	0.000	2	112.4346	0.365	9	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H){1|N<3>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	112.0170	0.193	5	112.0170	0.037	5	112.4346	0.365	9	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	112.5070	0.000	2	112.5070	0.000	2	112.4346	0.365	9	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.3040	0.190	2	108.3040	0.036	2	108.3040	0.036	2	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.0630	0.000	1	105.0630	0.000	1	107.1450	8.669	2	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.2270	0.000	1	109.2270	0.000	1	107.1450	8.669	2	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]N[5,6]C[6])	109.9500	0.000	1	109.9500	0.000	1	109.9500	0.000	1	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.5100	0.000	1	109.7250	0.092	2	109.7250	0.092	2	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9400	0.000	1	109.7250	0.092	2	109.7250	0.092	2	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H){2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4320	0.000	1	109.4320	0.000	1	109.1505	0.158	2	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8690	0.000	1	108.8690	0.000	1	109.1505	0.158	2	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]2O[5])(N[5,6]C[5]C[6])(C[6]N[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[6a]2O[5])(N[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	110.5530	3.743	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H){1|N<3>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:2:2:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]OO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]OO)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7280	0.000	1	109.7280	0.000	1	109.7280	0.000	1	109.7280	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(COO)(H)	H(C[5,6]C[5,5,6]C[5,5a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(COO)(H){2|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,5a]C[6])	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	111.0348	2.946	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.5085	0.186	2	112.5085	0.035	2	112.5085	0.035	2	111.0348	2.946	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	111.0348	2.946	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[6a]N[5])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[6a]N[5])(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.8480	0.000	1	109.8480	0.000	1	109.8480	0.000	1	109.1089	0.911	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(N[5]N[5,6]S)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]O)(CCHH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[6]C)(N[5]N[5,6]S)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.6390	0.000	1	109.6390	0.000	1	109.6960	0.006	2	109.1089	0.911	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(N[5]C[6a]C[5])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(CH3)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]C)(N[5]C[6a]C[5])(C[6]C[6]CH)(H){1|H<1>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(CH3)(H){1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	109.7530	0.000	1	109.7530	0.000	1	109.6960	0.006	2	109.1089	0.911	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7990	0.000	1	108.7990	0.000	1	108.4883	1.532	3	109.1089	0.911	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.5410	0.000	1	109.5410	0.000	1	108.4883	1.532	3	109.1089	0.911	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1250	0.000	1	107.1250	0.000	1	108.4883	1.532	3	109.1089	0.911	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(N[5,6]O[5]O[6])(C[5]C[5]HN)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[6]C[6a]C[6]H)(N[5,6]O[5]O[6])(C[5]C[5]HN)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	109.1089	0.911	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:4:2:	4:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3390	0.000	1	108.3390	0.000	1	108.3390	0.000	1	108.3390	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.1330	0.000	1	106.1330	0.000	1	106.1330	0.000	1	106.1330	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]C[6])	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]C[6])	109.6880	0.000	1	109.6880	0.000	1	110.3255	0.813	2	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5a,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]C[6])	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5a,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]C[6])	110.9630	0.000	1	110.9630	0.000	1	110.3255	0.813	2	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	112.7420	0.000	1	112.7420	0.000	1	109.8628	5.627	8	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	112.9170	0.000	1	112.9170	0.000	1	109.8628	5.627	8	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	108.7990	0.000	1	108.7990	0.000	1	109.8628	5.627	8	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|C<4>,1|O<2>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	108.8180	0.198	2	109.6377	1.559	4	109.8628	5.627	8	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	109.4700	0.000	1	109.6377	1.559	4	109.8628	5.627	8	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	111.4450	0.000	1	109.6377	1.559	4	109.8628	5.627	8	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	105.8930	0.000	1	105.8930	0.000	1	109.8628	5.627	8	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]2O[5])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]N[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]2O[5])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,7|H<1>}	C[6](C[5,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]N[5,6]C[6])	108.4610	0.000	1	108.4610	0.000	1	108.4610	0.000	1	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.7280	0.000	1	109.7280	0.000	1	109.8423	0.080	6	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.8492	0.354	4	109.8492	0.126	4	109.8423	0.080	6	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.9290	0.000	1	109.9290	0.000	1	109.8423	0.080	6	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[3,5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[3,5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	108.9430	0.000	1	108.9430	0.000	1	109.7430	1.280	2	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.5430	0.000	1	110.5430	0.000	1	109.7430	1.280	2	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,7|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,4|C<3>,4|C<4>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.3053	0.108	4	108.3464	0.017	5	108.3464	0.017	5	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.5110	0.000	1	108.3464	0.017	5	108.3464	0.017	5	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]O[5])(C[6]C[6]BrH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]C[6a]H)(Br)(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]O[5])(C[6]C[6]BrH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]C[6a]H)(Br)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.2010	0.000	1	108.2010	0.000	1	109.0655	2.825	4	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	109.3740	0.000	1	109.3740	0.000	1	109.0655	2.825	4	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5]N[5,6]C[6])	111.2770	0.000	1	111.2770	0.000	1	109.0655	2.825	4	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5]N[5,6]C[6])	107.4100	0.000	1	107.4100	0.000	1	109.0655	2.825	4	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6a]C[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,3|C<3>,6|C<4>}	H(C[5,6]C[5,6,6]C[5,6a]C[6])	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	109.0940	0.000	1	109.0940	0.000	1	108.2680	1.365	2	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]2C[6])	107.4420	0.000	1	107.4420	0.000	1	108.2680	1.365	2	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[5,5,6,6]BrH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[5,5,6,6]BrH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.7430	0.000	1	107.7430	0.000	1	108.6625	1.691	2	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.5820	0.000	1	109.5820	0.000	1	108.6625	1.691	2	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.8140	0.000	1	107.8140	0.000	1	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]H)(C[5]C[3,5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6]H)(C[5]C[3,5]C)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<1>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.8430	0.000	1	105.8430	0.000	1	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]O)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	112.5400	0.226	2	112.5400	0.051	2	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]N)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]N)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8110	0.000	1	107.8110	0.000	1	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3268	0.242	4	108.3268	0.059	4	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]N[5,5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]N[5,5]O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9910	0.000	1	108.9910	0.000	1	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.9730	0.000	1	107.2975	3.509	2	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6220	0.000	1	107.2975	3.509	2	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5755	0.370	2	107.5755	0.137	2	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]O)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.8400	0.000	1	107.8400	0.000	1	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.5050	0.000	1	109.5050	0.000	1	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.6320	0.417	3	107.6320	0.174	3	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.0100	0.000	1	109.0100	0.000	1	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.1510	0.000	1	108.1510	0.000	1	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8680	0.000	1	109.8680	0.000	1	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0180	0.000	1	107.0180	0.000	1	108.3861	2.622	23	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6]N[5,5]C[6])	109.1307	0.746	3	109.1307	0.557	3	109.1307	0.557	3	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	109.2060	0.000	1	109.2060	0.000	1	108.3077	0.530	9	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.8763	0.542	3	107.8763	0.294	3	108.3077	0.530	9	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]O)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]O)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,3|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.9500	0.000	1	107.9500	0.000	1	108.3077	0.530	9	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|Rh<6>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	109.1020	0.710	2	109.1020	0.504	2	108.3077	0.530	9	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[6]P[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[6]P[5])(C[6]C[6]HH)(H){1|O<2>,1|S<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.8900	0.209	2	107.8900	0.044	2	108.3077	0.530	9	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(C[6]C[6]HH)(H){1|Cr<9>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.3640	0.284	2	108.3640	0.081	2	109.6426	1.856	21	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]OO)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]OO)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]N[5])	112.6440	0.000	1	112.6440	0.000	1	109.6426	1.856	21	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	109.0280	0.000	1	109.0280	0.000	1	109.6426	1.856	21	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	110.1470	0.000	1	110.4142	0.070	5	109.6426	1.856	21	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.5060	0.303	3	110.4142	0.070	5	109.6426	1.856	21	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.4060	0.000	1	110.4142	0.070	5	109.6426	1.856	21	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.0842	1.361	4	110.0842	1.852	4	109.6426	1.856	21	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	110.2280	0.000	1	110.2280	0.000	1	109.6426	1.856	21	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.0740	0.000	1	109.0560	0.001	2	109.6426	1.856	21	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.0380	0.000	1	109.0560	0.001	2	109.6426	1.856	21	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Ir<6>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.7690	0.590	2	107.7690	0.348	2	109.6426	1.856	21	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|P<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3880	1.143	2	108.3880	1.306	2	109.6426	1.856	21	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.0320	0.000	1	111.0320	0.000	1	109.6426	1.856	21	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.3310	0.000	1	112.3310	0.000	1	109.5210	6.363	3	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1160	0.939	2	108.1160	0.882	2	109.5210	6.363	3	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8865	0.018	2	109.8865	0.000	2	109.0014	1.342	13	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7802	0.311	5	109.7802	0.096	5	109.0014	1.342	13	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.8867	1.558	3	107.8867	2.426	3	109.0014	1.342	13	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.5660	0.000	1	107.5660	0.000	1	109.0014	1.342	13	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.3510	0.000	1	108.5590	0.087	2	109.0014	1.342	13	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.7670	0.000	1	108.5590	0.087	2	109.0014	1.342	13	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[6]C[5,5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1535	0.019	2	110.1535	0.000	2	110.1535	0.000	2	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	P[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](P[5]C[6a]C[5]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]P[5])	C[5,6](P[5]C[6a]C[5]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|B<3>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]P[5])	108.0450	0.000	1	108.0450	0.000	1	108.0450	0.000	1	109.0517	2.088	110	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[3,5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(N[5,6]C[5,6]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[3,5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H)	H(C[5,6]C[3,5,6]N[5,6]C[6])	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(N[5,6]C[5,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[3,5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[3,5,6]N[5,6]C[6])	110.0855	0.183	2	110.0855	0.034	2	110.0855	0.034	2	108.3113	11.844	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H)	H(C[5,6]C[5,5,6]C[5,5a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H){1|S<4>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,5a]C[6])	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	108.3113	11.844	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[5,6]C[5,6,6]N[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]N[5,6]C[6])	110.1245	0.493	2	110.1245	0.243	2	110.1245	0.243	2	108.3113	11.844	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]C)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|C<3>,6|C<4>}	H(C[5,6]C[5,6]2C[6])	110.5235	0.142	2	110.5235	0.020	2	109.3057	4.459	3	108.3113	11.844	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	106.8700	0.000	1	106.8700	0.000	1	109.3057	4.459	3	108.3113	11.844	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(CN)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(CN)(H){2|H<1>,2|S<2>,3|C<4>}	H(C[5,6]C[5,6]N[5,6]C[6])	99.0435	0.000	1	99.0435	0.000	1	99.0435	0.000	1	108.3113	11.844	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CN)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CN)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	108.3113	11.844	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){4|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0310	0.000	1	106.0310	0.000	1	106.0310	0.000	1	108.3113	11.844	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	108.6670	1.922	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(CCH)(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	109.3890	0.000	1	109.3890	0.000	1	108.1255	1.316	4	108.6670	1.922	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	107.0480	0.000	1	107.1575	0.024	2	108.1255	1.316	4	108.6670	1.922	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	107.2670	0.000	1	107.1575	0.024	2	108.1255	1.316	4	108.6670	1.922	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HO)(COO)(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.7980	0.000	1	108.7980	0.000	1	108.1255	1.316	4	108.6670	1.922	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]S)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CN[5]O)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]S)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CN[5]O)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.7850	0.000	1	110.7850	0.000	1	110.7850	0.000	1	108.6670	1.922	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH){2|C<3>,5|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.2700	0.000	1	108.2700	0.000	1	108.2028	0.154	11	108.2028	0.154	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH){2|C<3>,5|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.4560	0.000	1	108.4235	0.002	2	108.2028	0.154	11	108.2028	0.154	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH){3|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.3910	0.000	1	108.4235	0.002	2	108.2028	0.154	11	108.2028	0.154	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){2|C<3>,5|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	107.7920	0.207	4	108.1393	0.201	8	108.2028	0.154	11	108.2028	0.154	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){3|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.4865	0.324	4	108.1393	0.201	8	108.2028	0.154	11	108.2028	0.154	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:3:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(COO)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(COO)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	107.9620	0.221	2	107.9620	0.049	2	107.9620	0.049	2	107.9620	0.049	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:S-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(C[6]C[6]HS)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]O[6]HH)(SC[6a]OO)(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(C[6]C[6]HS)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]O[6]HH)(SC[6a]OO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5]N[5,6]C[6])	111.6340	0.000	1	111.6340	0.000	1	111.6340	0.000	1	107.7322	4.910	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4180	0.239	2	106.4180	0.057	2	106.7567	0.203	4	107.7322	4.910	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.0955	0.303	2	107.0955	0.092	2	106.7567	0.203	4	107.7322	4.910	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	102.8410	0.000	1	102.8397	0.017	4	102.8282	0.014	5	102.8282	0.014	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	102.8393	0.161	3	102.8397	0.017	4	102.8282	0.014	5	102.8282	0.014	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	102.7820	0.000	1	102.7820	0.000	1	102.8282	0.014	5	102.8282	0.014	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,3x6]O[5]H)(H)2	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,3x6]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,3x6]C[6]O[5])	109.0695	0.240	2	109.0695	0.057	2	109.0695	0.057	2	107.3801	36.468	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,5,6]O[5]H)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,5,6]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	107.3801	36.468	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.5450	0.000	1	109.5450	0.000	1	106.5042	55.570	6	107.3801	36.468	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	107.9900	0.000	1	109.3863	1.495	3	106.5042	55.570	6	107.3801	36.468	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0845	0.254	2	109.3863	1.495	3	106.5042	55.570	6	107.3801	36.468	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.9450	0.000	1	100.6606	172.400	2	106.5042	55.570	6	107.3801	36.468	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	91.3762	0.000	1	100.6606	172.400	2	106.5042	55.570	6	107.3801	36.468	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H)	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,2|N<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){2|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.2550	0.000	1	109.2550	0.000	1	109.2550	0.000	1	109.2550	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]C)(C[6]C[6,6a]CH)(O[5]C[5,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]O[6]C)(C[6]C[6,6a]CH)(O[5]C[5,6a])(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	108.9153	0.271	4	108.9153	0.073	4	108.9328	0.056	5	109.0578	0.139	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.0030	0.000	1	109.0030	0.000	1	108.9328	0.056	5	109.0578	0.139	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6830	0.000	1	109.6830	0.000	1	109.6830	0.000	1	109.0578	0.139	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]N[3,6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]S[6])(H)2	H(C[5,6]C[3,5,6]C[6]O[5])	C[5,6](C[3,5,6]C[3,5]N[3,6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|S<4>}	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]S[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[5,6]C[3,5,6]C[6]O[5])	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(O[5]N[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(O[5]N[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.9680	0.000	1	109.9680	0.000	1	109.6375	0.218	2	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[6]O[6]HH)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.3070	0.000	1	109.3070	0.000	1	109.6375	0.218	2	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8920	0.096	2	109.8920	0.009	2	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0622	0.166	6	109.9770	0.084	12	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4440	0.000	1	109.9770	0.084	12	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9050	0.000	1	109.9770	0.084	12	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7750	0.000	1	109.9770	0.084	12	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7423	0.395	3	109.9770	0.084	12	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]B[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]B[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|B<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.3790	0.000	1	110.3790	0.000	1	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9892	0.342	4	109.9892	0.117	4	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6730	0.000	1	109.4658	2.948	13	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7680	0.461	2	109.4658	2.948	13	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.1490	1.234	3	109.4658	2.948	13	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.4410	0.000	1	109.4658	2.948	13	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6390	0.000	1	109.4658	2.948	13	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.2240	0.758	2	109.4658	2.948	13	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	105.1370	0.000	1	109.4658	2.948	13	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4320	0.000	1	109.4658	2.948	13	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.3030	0.000	1	109.4658	2.948	13	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2825	1.522	2	109.5316	0.819	5	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6977	0.613	3	109.5316	0.819	5	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|Si<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8160	0.000	1	109.8160	0.000	1	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.9410	0.013	2	110.9410	0.000	2	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.8317	0.208	3	109.8317	0.043	3	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.8481	0.178	7	109.8481	0.032	7	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6270	0.000	1	109.6160	0.182	10	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9860	0.703	2	109.6160	0.182	10	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6790	0.704	2	109.6160	0.182	10	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7180	0.000	1	109.6160	0.182	10	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4580	0.000	1	109.6160	0.182	10	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.3423	0.227	3	109.6160	0.182	10	109.7808	0.805	60	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.7460	0.000	1	108.7460	0.000	1	108.4080	3.467	5	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1250	0.595	2	110.1250	0.354	2	108.4080	3.467	5	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(S[6]S[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|S<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(S[6]S[6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	106.5220	0.625	2	106.5220	0.391	2	108.4080	3.467	5	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]O[6]HH)(S[5]C[5,6])(H)	C[6](C[5,6]C[5,6]S[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]O[6]HH)(S[5]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	108.9185	0.203	2	108.9185	0.041	2	108.9185	0.041	2	109.6538	1.035	70	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H)	H(C[5,6]C[5,5,6,6]C[6]O[5])	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[6]O[5])	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	109.1202	1.804	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H){1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6470	0.000	1	109.6470	0.000	1	108.9277	2.264	9	109.1202	1.804	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	105.5790	0.000	1	105.5790	0.000	1	108.9277	2.264	9	109.1202	1.804	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H){1|C<4>,1|H<1>,3|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.7490	0.000	1	108.7490	0.000	1	108.9277	2.264	9	109.1202	1.804	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4220	0.000	1	109.4220	0.000	1	108.9277	2.264	9	109.1202	1.804	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.3904	1.122	5	109.3904	1.259	5	108.9277	2.264	9	109.1202	1.804	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:S-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5950	0.000	1	109.4540	0.040	2	109.4540	0.040	2	109.1202	1.804	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:S-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3130	0.000	1	109.4540	0.040	2	109.4540	0.040	2	109.1202	1.804	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6])(CCH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6])(CCH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	108.0350	7.239	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	104.9520	0.000	1	104.9520	0.000	1	104.9520	0.000	1	108.0350	7.239	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	108.0350	7.239	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]N[3,5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]C[6])(CH3)(H)	H(C[5,6]C[3,5,6]C[6]O[5])	C[5,6](C[3,5,6]C[3,6]N[3,5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[3,5,6]C[6]O[5])	111.2065	0.012	2	111.2065	0.000	2	111.2065	0.000	2	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2400	0.000	1	109.2400	0.000	1	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCCH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	113.1840	0.000	1	113.1840	0.000	1	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4167	3.356	7	110.4167	11.264	7	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.1120	0.000	1	111.1120	0.000	1	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.3130	0.764	2	110.3130	0.583	2	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHI)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHI)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.4140	0.000	1	110.4140	0.000	1	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.3118	1.087	4	109.3118	1.181	4	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.4080	0.000	1	110.2046	0.093	16	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.2478	0.227	14	110.2046	0.093	16	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.3970	0.000	1	110.2046	0.093	16	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CN[5a]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CN[5a]HH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.0945	0.313	2	110.0945	0.098	2	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CPtHH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CPtHH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.5040	0.000	1	109.5040	0.000	1	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7750	0.000	1	109.7750	0.000	1	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.3770	0.000	1	109.3770	0.000	1	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(CCHH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.2975	0.370	2	108.2975	0.137	2	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.1380	0.000	1	110.1580	0.001	2	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.1780	0.000	1	110.1580	0.001	2	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.5580	0.000	1	108.5580	0.000	1	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1810	0.000	1	109.5600	0.209	8	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.6141	0.465	7	109.5600	0.209	8	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4730	0.000	1	109.4134	0.782	7	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	107.6180	0.000	1	109.4134	0.782	7	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7947	0.560	3	109.4134	0.782	7	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.7095	0.479	2	109.4134	0.782	7	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(CCHN)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1080	0.000	1	110.1080	0.000	1	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|C<4>,1|P<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.8580	0.000	1	109.8580	0.000	1	109.9111	1.826	60	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:N[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6])(CCHO)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6])(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]C[6]S[5])	108.4825	0.159	4	108.4825	0.025	4	108.4825	0.025	4	109.8638	1.834	66	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(CN)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(CN){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6110	0.000	1	109.6110	0.000	1	109.6110	0.000	1	109.6153	0.091	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5460	0.000	1	109.5460	0.000	1	109.6162	0.114	5	109.6153	0.091	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:2:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6337	0.387	4	109.6337	0.149	4	109.6162	0.114	5	109.6153	0.091	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|O<2>,5|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.4180	0.000	1	110.4180	0.000	1	110.4404	0.113	12	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.4960	0.000	1	110.4683	0.068	9	110.4404	0.113	12	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.0680	0.000	1	110.4683	0.068	9	110.4404	0.113	12	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.5173	0.269	6	110.4683	0.068	9	110.4404	0.113	12	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.5470	0.000	1	110.4683	0.068	9	110.4404	0.113	12	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6,6]O)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.9050	0.000	1	110.9050	0.000	1	110.4404	0.113	12	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.7470	0.000	1	109.7470	0.000	1	110.4404	0.113	12	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]N[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.7915	0.070	2	109.7915	0.005	2	109.7915	0.005	2	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[5a,6]HH)(O[5,6]C[5,6])(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a,6]N[5a])(H)2	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[5a,6]HH)(O[5,6]C[5,6])(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a,6]N[5a])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5]O[5,6]C[6])	109.9110	0.000	1	109.9110	0.000	1	109.9110	0.000	1	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.8900	0.000	1	108.8900	0.000	1	108.8900	0.000	1	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.2720	0.000	2	110.3307	0.010	3	110.3023	0.127	7	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.4480	0.000	1	110.3307	0.010	3	110.3023	0.127	7	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2{4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.6350	0.137	2	110.6350	0.019	2	110.3023	0.127	7	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2{4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.2550	0.000	1	110.2550	0.000	1	110.3023	0.127	7	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.5990	0.000	1	109.5990	0.000	1	110.3023	0.127	7	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.1530	0.000	1	111.1530	0.000	1	109.8884	1.517	5	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.0510	0.000	1	109.0510	0.000	1	109.8884	1.517	5	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.1750	0.000	1	108.1750	0.000	1	109.8884	1.517	5	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.5315	0.059	2	110.5315	0.003	2	109.8884	1.517	5	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6]ClH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(Cl)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(Cl)(H){1|C<3>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1540	0.000	1	110.1540	0.000	1	109.6760	0.457	2	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(Cl)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(Cl)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1980	0.000	1	109.1980	0.000	1	109.6760	0.457	2	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7630	0.000	1	109.7630	0.000	1	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{6|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.0010	0.195	2	108.0010	0.038	2	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	112.1050	0.000	1	112.1050	0.000	1	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2{4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9670	0.000	1	109.9670	0.000	1	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|H<1>,1|O<1>,3|C<4>,3|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2{1|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6580	0.000	1	109.6580	0.000	1	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3530	0.000	1	109.3530	0.000	1	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.8650	0.000	1	109.8650	0.000	1	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.7610	0.000	1	111.7610	0.000	1	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]N[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]N[6])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.0830	0.000	1	109.0830	0.000	1	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4630	0.000	1	109.6053	0.415	3	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6765	0.894	2	109.6053	0.415	3	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.6140	0.000	1	108.6140	0.000	1	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H){1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2{1|B<3>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	108.9380	0.000	1	108.9380	0.000	1	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.2210	0.000	1	111.1855	1.861	2	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	112.1500	0.000	1	111.1855	1.861	2	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.6210	0.000	1	108.6210	0.000	1	109.7176	1.559	18	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.8220	0.000	1	108.8220	0.000	1	108.8220	0.000	1	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.5960	0.000	1	110.0600	0.431	2	110.0600	0.431	2	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.5240	0.000	1	110.0600	0.431	2	110.0600	0.431	2	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0060	0.000	1	110.0060	0.000	1	109.8583	1.021	7	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3610	0.000	1	109.3610	0.000	1	109.8583	1.021	7	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0200	0.000	1	110.0200	0.000	1	109.8583	1.021	7	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7160	0.000	1	109.7160	0.000	1	109.8583	1.021	7	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H){1|Cu<6>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.9170	0.000	1	111.9170	0.000	1	109.8583	1.021	7	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	108.9940	0.284	2	108.9940	0.081	2	109.8583	1.021	7	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6]Pt)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|Pt<6>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6]Pt)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(H)2	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]C[6]S[5])	108.7780	0.000	1	108.7780	0.000	1	108.7780	0.000	1	109.9333	0.854	60	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[3,5,6]O[5]H)(C[6]C[6]C)(OH)(H)	H(C[5,6]C[3,5,6]C[6]O[5])	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[3,5,6]O[5]H)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[3,5,6]C[6]O[5])	107.7460	0.000	1	107.7460	0.000	1	107.7460	0.000	1	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(OH)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.4290	0.000	1	109.4290	0.000	1	109.4290	0.000	1	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]C)(OH)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5a]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5a]C[5a]S[5a])(O[6]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5a]O[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,1|S<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5a]C[5a]S[5a])(O[6]C[5,6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9230	0.000	1	109.9230	0.000	1	109.9230	0.000	1	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]O)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]O)(OH)(H){1|B<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.3910	0.000	1	110.3910	0.000	1	109.0261	1.089	8	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2060	0.256	4	109.2060	0.066	4	109.0261	1.089	8	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.5700	0.000	1	107.5700	0.000	1	109.0261	1.089	8	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	107.4640	0.000	1	107.4640	0.000	1	109.0261	1.089	8	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9600	0.000	1	109.9600	0.000	1	109.0261	1.089	8	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.5990	0.000	1	109.1255	0.353	4	109.3710	0.566	5	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.9090	0.000	1	109.1255	0.353	4	109.3710	0.566	5	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.9970	0.868	2	109.1255	0.353	4	109.3710	0.566	5	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.3530	0.000	1	110.3530	0.000	1	109.3710	0.566	5	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.1350	0.000	1	111.1350	0.000	1	111.1350	0.000	1	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6a]-3:S[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6a]C[6a]2)(S[6]S[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6a]C[6a]2)(S[6]S[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6830	0.221	2	109.6830	0.049	2	109.6830	0.049	2	109.4573	1.030	22	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:2:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OC)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OC)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5a]C[6a]O[6])(C[6]C[6a]C[6]H)(S[5]C[5,5a])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]N[5,5a]C[6a]O[6])(C[6]C[6a]C[6]H)(S[5]C[5,5a])(H){1|C<2>,1|N<2>,6|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	H(C[5,6]C[5,6]C[6]S[5])	107.7850	0.324	2	107.7850	0.105	2	107.7850	0.105	2	107.7850	0.105	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:3:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.0140	0.000	1	110.0140	0.000	1	110.0140	0.000	1	110.0140	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]O)(CH3)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.9950	0.000	1	108.9950	0.000	1	108.9950	0.000	1	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.2700	0.000	1	108.4685	0.079	2	108.4685	0.079	2	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.6670	0.000	1	108.4685	0.079	2	108.4685	0.079	2	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O)(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O)(CH3)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1940	0.000	1	109.1940	0.000	1	109.9977	0.725	3	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CHHN)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CHHN)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.3995	0.694	2	110.3995	0.481	2	109.9977	0.725	3	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.9430	0.000	1	108.9430	0.000	1	109.1997	0.288	13	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.5860	0.000	1	108.5860	0.000	1	109.1997	0.288	13	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.8370	0.000	1	108.8370	0.000	1	109.1997	0.288	13	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8070	0.000	1	109.9850	0.063	2	109.1997	0.288	13	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1630	0.000	1	109.9850	0.063	2	109.1997	0.288	13	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.1015	0.521	6	109.1015	0.272	6	109.1997	0.288	13	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.0650	0.000	1	109.0650	0.000	1	109.1997	0.288	13	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.5860	0.000	1	109.5860	0.000	1	109.1997	0.288	13	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]C[6]S[5])	108.6840	0.000	2	108.6163	0.008	8	109.1246	0.744	13	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]C[6]S[5])	108.5937	0.091	6	108.6163	0.008	8	109.1246	0.744	13	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]C[6]S[5])	109.9380	0.936	5	109.9380	0.876	5	109.1246	0.744	13	109.1919	0.549	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:N-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CN)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6450	0.000	1	109.6450	0.000	1	109.6197	0.267	4	109.4643	0.788	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:N-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1170	0.000	1	109.6113	0.400	3	109.6197	0.267	4	109.4643	0.788	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:N-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.3585	0.646	2	109.6113	0.400	3	109.6197	0.267	4	109.4643	0.788	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.2840	0.000	1	108.2840	0.000	1	109.1564	1.220	5	109.4643	0.788	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4215	0.944	2	109.3745	1.309	4	109.1564	1.220	5	109.4643	0.788	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.5580	0.000	1	109.3745	1.309	4	109.1564	1.220	5	109.4643	0.788	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.0970	0.000	1	109.3745	1.309	4	109.1564	1.220	5	109.4643	0.788	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:3:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.3820	0.000	1	110.3820	0.000	1	110.3820	0.000	1	109.4643	0.788	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5]C[6]N[4])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[4,5,6]C[6]O[5])	C[5,6](C[4,5,6]C[4,5]C[6]N[4])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]C[4,5,6]C[6]O[5])	109.1480	0.000	1	109.1480	0.000	1	109.2583	0.023	3	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6]HH)(O[5]S[5])(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[4,5,6]C[6]O[5])	C[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6]HH)(O[5]S[5])(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<3>,2|H<1>}	H(C[5,6]C[4,5,6]C[6]O[5])	109.3135	0.165	2	109.3135	0.027	2	109.2583	0.023	3	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[6]C[6]HH)(O[5]C[5,6])(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[6]O[5])	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5])(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	107.8270	0.000	1	107.8270	0.000	1	108.6787	0.863	3	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(N[5]C[5])(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(N[5]C[5])(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.1045	0.798	2	109.1045	0.637	2	108.6787	0.863	3	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[3,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[3,6]C[3,6]O[3]H)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[3,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[3,6]C[3,6]O[3]H)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(O[5]C[5,6a])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(O[5]C[5,6a])(H){2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	107.4930	0.000	1	107.4930	0.000	1	107.4930	0.000	1	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]BrH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]HH)(Br)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]BrH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]HH)(Br)(H){1|C<3>,1|N<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	111.5870	0.000	1	111.5870	0.000	1	111.5870	0.000	1	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	108.9310	0.418	4	108.9310	0.175	4	108.9682	0.271	12	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	108.6075	0.084	4	108.8670	0.388	6	108.9682	0.271	12	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	108.6400	0.000	1	108.8670	0.388	6	108.9682	0.271	12	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.1320	0.000	1	108.8670	0.388	6	108.9682	0.271	12	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.6330	0.000	1	109.6330	0.000	1	108.9682	0.271	12	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]CH)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]CH)(H)2{1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.0600	0.000	1	109.0600	0.000	1	108.9682	0.271	12	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,5,6]O[5]H)(H)2	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O[5]C[5])(H){2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,5,6]O[5]H)(H)2{1|O<2>,2|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.5550	0.127	4	109.5550	0.016	4	109.5550	0.016	4	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,5]O[5,6]C[6])	109.9186	0.216	5	109.9186	0.047	5	109.9186	0.047	5	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[3]C[6]O[3])(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[3]C[6]O[3])(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	101.9260	0.000	1	101.9260	0.000	1	101.9260	0.000	1	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.5080	0.000	1	110.5080	0.000	1	108.6395	1.101	6	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{3|C<3>,6|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.6050	0.000	1	108.6050	0.000	1	108.6395	1.101	6	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]2H)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]2H)(H)2{2|C<3>,7|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.4260	0.000	1	108.4260	0.000	1	108.6395	1.101	6	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	107.5550	0.000	1	108.2475	0.959	2	108.6395	1.101	6	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.9400	0.000	1	108.2475	0.959	2	108.6395	1.101	6	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	107.8030	0.000	1	107.8030	0.000	1	108.6395	1.101	6	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[6,6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<3>,9|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[6,6]HH)(H)2{5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.9920	0.011	2	109.9920	0.000	2	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.8563	0.076	3	110.8563	0.006	3	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.0110	0.000	1	109.0110	0.000	1	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2{5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	107.5540	0.000	1	108.4327	0.582	3	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<4>,9|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2{5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.8720	0.072	2	108.4327	0.582	3	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	111.0760	0.000	1	110.1555	1.695	2	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.2350	0.000	1	110.1555	1.695	2	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.5710	0.000	1	110.5710	0.000	1	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	111.1600	0.000	1	111.1600	0.000	1	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	111.5770	0.000	1	112.0500	0.447	2	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	112.5230	0.000	1	112.0500	0.447	2	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.6610	0.000	1	108.6610	0.000	1	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.7905	0.046	2	108.7905	0.002	2	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.3650	0.000	1	110.3650	0.000	1	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.0460	0.000	1	108.2055	0.051	2	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.3650	0.000	1	108.2055	0.051	2	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.6870	0.000	1	108.6870	0.000	1	109.7595	1.704	22	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	106.0910	2.321	2	106.0910	5.386	2	106.0910	5.386	2	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[3,6]HH)(O[5]C[5])(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[3,6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5395	0.906	2	109.5395	0.820	2	109.5395	0.820	2	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.5330	0.000	1	108.5330	0.000	1	108.5330	0.000	1	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.3740	0.000	1	110.3740	0.000	1	109.9508	1.046	9	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.1070	0.000	1	110.6425	0.432	2	109.9508	1.046	9	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1780	0.000	1	110.6425	0.432	2	109.9508	1.046	9	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5]N[5,6]C)(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,5]N[5,6]C)(C[5,6]C[5,6]O[5]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.4160	0.000	1	111.4160	0.000	1	109.9508	1.046	9	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.3200	0.000	1	108.3200	0.000	1	109.9508	1.046	9	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7790	0.000	1	109.7790	0.000	1	109.9508	1.046	9	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2{2|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.5990	0.000	1	108.5990	0.000	1	109.9508	1.046	9	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2{1|N<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6370	0.000	1	109.6370	0.000	1	109.9508	1.046	9	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	110.1470	0.000	1	110.1470	0.000	1	109.9508	1.046	9	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:F-1:F-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]O[6,6]C[6]O)(F)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]O[6,6]C[6]O)(F)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.9720	0.000	1	108.2240	0.201	6	108.9730	1.142	21	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.0744	0.289	5	108.2240	0.201	6	108.9730	1.142	21	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6,6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6,6]HH)(O[5]C[5,6])(H){2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2{1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.7840	0.000	1	110.7840	0.000	1	108.9730	1.142	21	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2{3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.8650	0.000	1	110.8650	0.000	1	108.9730	1.142	21	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.8160	0.000	1	110.8160	0.000	1	108.9730	1.142	21	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6740	0.000	1	108.4198	0.458	6	108.9730	1.142	21	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.0030	0.105	2	108.4198	0.458	6	108.9730	1.142	21	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.8340	0.000	1	108.4198	0.458	6	108.9730	1.142	21	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.5025	0.025	2	108.4198	0.458	6	108.9730	1.142	21	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]C)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4280	0.000	1	109.4280	0.000	1	108.9730	1.142	21	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1317	0.221	3	109.1317	0.049	3	108.9730	1.142	21	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]C)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.4550	0.000	1	108.4550	0.000	1	108.9730	1.142	21	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2C)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){7|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2C)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.8260	0.000	1	110.8260	0.000	1	108.9730	1.142	21	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HN)(Br)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HN)(Br)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	113.7150	0.000	1	113.7150	0.000	1	110.5541	2.116	7	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Br)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Br)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7857	0.496	3	109.7857	0.246	3	110.5541	2.116	7	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.3540	0.000	1	110.3540	0.000	1	110.5541	2.116	7	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H){1|Br<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.2265	0.432	2	110.2265	0.187	2	110.5541	2.116	7	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]ClH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Cl)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]ClH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.0065	0.033	2	109.0065	0.001	2	109.0065	0.001	2	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2{1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4610	0.000	1	109.4610	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]BrH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3x6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,3x6]BrH)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3x6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.7620	0.000	1	110.7620	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1490	0.000	1	109.8218	0.024	8	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.7750	0.088	7	109.8218	0.024	8	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.3140	0.209	2	110.3140	0.044	2	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.2113	0.278	4	111.0732	0.153	5	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.5210	0.000	1	111.0732	0.153	5	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.3650	0.000	1	111.3650	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.7630	0.000	1	110.7630	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	111.1440	0.000	1	111.1440	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.0240	0.000	1	111.0240	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4618	0.502	5	109.6673	0.825	10	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2870	0.000	1	109.6673	0.825	10	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.0192	1.362	4	109.6673	0.825	10	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1890	0.000	1	110.1890	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	107.1510	0.000	1	107.1510	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]N[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]N[5,6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.8910	0.000	1	109.8910	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.3420	0.000	1	111.3420	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.8080	0.000	1	110.8080	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.2310	0.000	1	111.2310	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.9640	0.000	1	110.9640	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4790	0.000	1	110.4790	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,1|S<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4588	1.050	5	109.4588	1.102	5	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.0815	0.036	2	109.0815	0.001	2	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){2|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.9410	0.273	2	107.9410	0.074	2	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|Si<4>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	107.4080	0.000	1	107.4080	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[4,6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[4,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.6550	0.000	1	108.6550	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.6770	0.000	1	108.8055	0.033	2	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.9340	0.000	1	108.8055	0.033	2	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.9900	0.000	1	109.1492	0.113	5	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.0375	0.460	2	109.1492	0.113	5	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.0990	0.000	1	109.1492	0.113	5	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5820	0.000	1	109.1492	0.113	5	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.8580	0.000	1	109.8580	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	110.1940	0.000	1	110.1940	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.4760	0.069	2	109.4760	0.005	2	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.1050	0.000	1	109.1050	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6580	0.000	1	109.6580	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8870	0.000	1	109.8870	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2210	0.000	1	109.2210	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	110.1280	0.000	1	110.1280	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	107.2990	0.000	1	107.0600	0.067	3	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	107.0970	0.000	1	107.0600	0.067	3	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	106.7840	0.000	1	107.0600	0.067	3	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.5405	0.059	2	109.5405	0.003	2	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.7645	0.186	2	109.7458	0.187	6	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.7365	0.547	4	109.7458	0.187	6	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.7525	0.480	4	109.7525	0.231	4	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.7720	0.000	1	108.8255	0.006	2	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.8790	0.000	1	108.8255	0.006	2	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.0740	0.000	1	111.0740	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CS)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CS)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.3670	0.000	1	109.3670	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2790	0.000	1	109.5275	0.124	2	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7760	0.000	1	109.5275	0.124	2	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.1898	0.316	4	109.1898	0.100	4	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9330	0.358	2	108.5183	6.068	3	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	105.6890	0.000	1	108.5183	6.068	3	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.1975	0.146	2	109.5320	0.146	5	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6295	0.310	2	109.5320	0.146	5	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0060	0.000	1	109.5320	0.146	5	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,1|S<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.9505	0.030	2	110.9505	0.001	2	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9350	0.000	1	109.9350	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H){1|Cl<1>,1|C<3>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.4750	0.000	1	110.4750	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.5770	0.000	1	109.5770	0.000	1	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9915	0.054	2	109.9915	0.003	2	109.6445	1.086	106	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5140	0.000	1	109.5140	0.000	1	110.0035	0.198	11	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9190	0.301	5	109.9190	0.090	5	110.0035	0.198	11	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6155	0.066	2	109.6155	0.004	2	110.0035	0.198	11	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)(I)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)(I){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.5663	0.208	3	110.5663	0.043	3	110.0035	0.198	11	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,6|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0450	0.000	1	110.0450	0.000	1	110.5665	0.544	2	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.0880	0.000	1	111.0880	0.000	1	110.5665	0.544	2	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HN)(C[6]C[6]HH)(S[5]S[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5,6]HN)(C[6]C[6]HH)(S[5]S[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	109.1680	0.163	4	109.1680	0.026	4	108.5258	1.256	12	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]O[6]HH)(H)2	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]O[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]S[5])	108.2140	0.000	1	108.2140	0.000	1	108.5258	1.256	12	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]S[6]HH)(H)2	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|S<2>,7|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]S[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]S[5])	109.0510	0.004	2	109.0510	0.000	2	108.5258	1.256	12	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<4>,1|N<2>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	110.4800	0.000	1	109.1765	3.398	2	108.5258	1.256	12	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<4>,1|S<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	107.8730	0.000	1	109.1765	3.398	2	108.5258	1.256	12	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	106.7340	0.000	1	106.7340	0.000	1	108.5258	1.256	12	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H){1|C<3>,1|C<4>,1|S<1>,1|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2{1|O<2>,1|P<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	107.0420	0.000	1	107.1170	0.011	2	108.5258	1.256	12	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H){1|C<4>,1|S<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2{1|O<2>,1|P<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	107.1920	0.000	1	107.1170	0.011	2	108.5258	1.256	12	109.4428	1.542	238	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H)	H(C[5,6]C[4,5,6]C[6]O[5])	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,3|H<1>,6|C<4>}	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[4,5,6]C[6]O[5])	108.3870	1.096	2	108.3870	1.201	2	108.3870	1.201	2	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]C)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5,6]O[5]C)(C[6]C[6,6]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.7705	0.255	2	110.7705	0.065	2	110.7705	0.065	2	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.8510	0.000	1	110.1240	3.241	2	110.1240	3.241	2	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	111.3970	0.000	1	110.1240	3.241	2	110.1240	3.241	2	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.0185	0.049	2	110.0185	0.002	2	110.0185	0.002	2	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6]HO)(N[5]C[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6]HO)(N[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]N[5])	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(N[5]N[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(N[5]N[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	112.3830	0.455	2	112.3830	0.207	2	110.8083	7.542	3	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5])(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.6590	0.000	1	107.6590	0.000	1	110.8083	7.542	3	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.7720	0.000	1	110.7720	0.000	1	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.6210	0.000	1	111.1122	0.215	6	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.2104	0.443	5	111.1122	0.215	6	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4450	0.194	2	109.4450	0.038	2	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H){1|O<2>,3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.6780	0.000	1	108.6780	0.000	1	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.9750	0.000	1	107.9750	0.000	1	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.1300	0.000	1	110.1300	0.000	1	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	106.9070	0.000	1	106.9070	0.000	1	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	107.7260	0.000	1	107.7260	0.000	1	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.8460	0.038	2	108.8460	0.001	2	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6290	0.000	1	109.6290	0.000	1	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.9940	0.232	2	109.7584	0.361	10	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.1325	0.033	2	109.7584	0.361	10	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5552	0.715	6	109.7584	0.361	10	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1375	0.105	2	109.4389	0.313	8	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2060	0.420	6	109.4389	0.313	8	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OP)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OP)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.2692	0.441	4	110.2692	0.194	4	109.7242	1.042	39	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H){1|N<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.6710	0.000	1	110.6710	0.000	1	110.3263	0.142	6	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0410	0.000	1	110.0410	0.000	1	110.3263	0.142	6	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){3|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.0960	0.000	1	110.0960	0.000	1	110.3263	0.142	6	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|I<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.3833	0.472	3	110.3833	0.222	3	110.3263	0.142	6	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.5800	0.000	1	108.5800	0.000	1	108.7910	0.442	4	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6000	0.000	1	109.6000	0.000	1	108.7910	0.442	4	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.9650	0.000	1	108.9650	0.000	1	108.7910	0.442	4	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.0190	0.000	1	108.0190	0.000	1	108.7910	0.442	4	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.1633	0.768	3	111.1633	0.590	3	111.1633	0.590	3	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.4785	0.008	2	111.4785	0.000	2	111.4785	0.000	2	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[3,6]C[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.5190	0.000	1	108.5190	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]N)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]C[6]N)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|S<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6950	0.000	1	109.6950	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.0370	0.000	1	109.0370	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.0860	0.000	1	111.0860	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.1200	0.164	2	111.1200	0.027	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.0140	0.000	1	111.0140	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H){2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.4522	0.454	4	111.4522	0.206	4	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,1|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.7373	0.037	3	110.7373	0.001	3	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.5296	0.539	7	109.5296	0.290	7	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.6923	0.239	3	109.6923	0.057	3	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.4090	0.000	1	110.3540	0.006	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.2990	0.000	1	110.3540	0.006	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3760	0.000	1	109.3760	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.5869	0.450	8	109.5869	0.203	8	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.4727	0.436	7	109.4727	0.190	7	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.1527	0.350	3	109.1527	0.123	3	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	108.9780	0.216	2	108.9780	0.047	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.9430	0.000	1	109.9430	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.3940	0.000	1	109.6930	0.179	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.9920	0.000	1	109.6930	0.179	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1900	0.000	1	109.1900	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9210	0.000	1	109.9210	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H){1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4420	0.000	1	109.4420	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7650	0.000	1	109.7650	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.0590	0.000	1	110.0590	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.8320	0.000	1	109.8320	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.9680	0.000	1	110.1660	0.078	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	110.3640	0.000	1	110.1660	0.078	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.4120	0.000	1	109.4120	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.8290	0.000	1	110.8290	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7380	0.000	1	109.7380	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5420	0.000	1	109.5420	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.3070	0.000	1	110.3070	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,6]C[5,6]C[6]O[5])	108.2490	0.000	1	108.2490	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.0920	0.000	1	109.0920	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	106.2275	2.846	2	106.2275	8.100	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.0180	0.000	1	107.9513	5.360	3	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	105.2950	0.000	1	107.9513	5.360	3	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5410	0.000	1	107.9513	5.360	3	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.9562	0.450	4	109.9562	0.203	4	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	108.5538	1.462	4	108.5538	2.137	4	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.7330	0.262	2	108.8988	1.273	4	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	108.0645	0.984	2	108.8988	1.273	4	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4070	0.000	1	110.4070	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.0720	0.000	1	111.0720	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.3280	0.000	1	110.3280	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.5260	0.055	2	110.1450	0.437	3	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3830	0.000	1	110.1450	0.437	3	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7900	0.000	1	109.7900	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.2330	0.000	1	111.2330	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9380	0.431	2	109.9380	0.186	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.2140	0.000	1	109.5025	0.609	4	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.2470	0.000	1	109.5025	0.609	4	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.2745	1.042	2	109.5025	0.609	4	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1020	0.000	1	109.8010	0.977	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.5000	0.000	1	109.8010	0.977	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.6110	0.000	1	110.0277	0.261	3	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6630	0.000	1	110.0277	0.261	3	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8090	0.000	1	110.0277	0.261	3	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1145	1.392	2	109.1145	1.938	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.3500	0.175	2	110.3500	0.031	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.5590	0.000	1	110.5590	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2450	0.000	1	109.2450	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1885	0.231	2	110.1163	0.042	3	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9720	0.000	1	110.1163	0.042	3	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6760	0.000	1	109.6760	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0320	0.000	1	109.7369	0.087	7	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6877	0.289	6	109.7369	0.087	7	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6797	0.341	3	109.6797	0.116	3	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|P<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5360	0.000	1	109.5360	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.4930	0.000	1	110.4930	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.9730	0.000	1	110.1090	0.037	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.2450	0.000	1	110.1090	0.037	2	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|P<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.7000	0.000	1	109.7000	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3580	0.000	1	109.3580	0.000	1	109.6927	1.017	127	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O[6]H)(O[6]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O[6]H)(O[6]C[5,6])(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.2000	0.000	1	110.2000	0.000	1	107.2117	6.928	3	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	105.2380	0.000	1	105.7175	0.460	2	107.2117	6.928	3	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	106.1970	0.000	1	105.7175	0.460	2	107.2117	6.928	3	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H){2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.6312	0.334	5	108.6312	0.111	5	108.6312	0.111	5	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(S[5]S[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(S[5]S[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|S<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]Se[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]Se[5]C[6])	108.8830	0.000	1	108.8605	0.054	4	108.8605	0.054	4	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]Se[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]Se[5]C[6])	108.6100	0.000	1	108.8605	0.054	4	108.8605	0.054	4	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]Se[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]Se[5]C[6])	109.1650	0.000	1	108.8605	0.054	4	108.8605	0.054	4	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]Se[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]Se[5]C[6])	108.7840	0.000	1	108.8605	0.054	4	108.8605	0.054	4	109.6774	1.268	207	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H){1|O<2>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4360	0.000	1	110.4360	0.000	1	110.4360	0.000	1	110.4295	1.825	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.4540	0.000	1	111.4540	0.000	1	111.4540	0.000	1	110.4295	1.825	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	113.6350	0.000	1	113.6350	0.000	1	110.8190	4.176	4	110.4295	1.825	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.0190	0.000	1	111.0190	0.000	1	110.8190	4.176	4	110.4295	1.825	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3110	0.098	2	109.3110	0.010	2	110.8190	4.176	4	110.4295	1.825	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.2510	0.000	1	111.2510	0.000	1	111.2510	0.000	1	110.4295	1.825	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,2|O<1>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	110.4295	1.825	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(S[5]S[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(S[5]S[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H){1|C<4>,1|O<2>,1|S<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	109.4040	0.000	1	109.4040	0.000	1	109.4040	0.000	1	110.4295	1.825	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(NHS)(H)	H(C[5,6]C[5,6]Se[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]Se[5]C[6])	109.1000	0.000	1	109.1000	0.000	1	109.1000	0.000	1	110.4295	1.825	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	110.4295	1.825	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-3:N-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	99.2570	0.000	1	99.2570	0.000	1	99.2570	0.000	1	99.2570	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[6]O[5])(C[6]C[5,6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5]2C[6])(CH3)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[3x5]C[6]O[5])(C[6]C[5,6]CH)(O[5]C[5,5])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5]2C[6])(CH3)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	108.1820	0.000	1	108.1820	0.000	1	108.1820	0.000	1	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.1255	0.528	2	109.1255	0.279	2	109.1255	0.279	2	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.5890	0.000	1	110.5890	0.000	1	110.5890	0.000	1	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6]O[5]H)(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.3605	0.161	4	110.3605	0.026	4	109.8796	0.373	7	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.2660	0.000	1	109.2660	0.000	1	109.8796	0.373	7	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|Ir<9>,1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2070	0.000	1	109.2245	0.001	2	109.8796	0.373	7	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|Ir<9>,1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H){1|Si<4>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2420	0.000	1	109.2245	0.001	2	109.8796	0.373	7	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4]C[6]N[5])(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[4]C[6]N[5])(C[6]C[6]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(H){1|C<3>,1|N<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1660	0.000	1	109.1660	0.000	1	109.5873	2.190	15	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(CH3)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0245	0.473	2	110.0245	0.224	2	109.5873	2.190	15	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.9040	0.000	1	109.3215	0.108	4	109.5873	2.190	15	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3380	0.000	2	109.3215	0.108	4	109.5873	2.190	15	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7060	0.000	1	109.3215	0.108	4	109.5873	2.190	15	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC[5]CC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC[5]CC)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	114.4340	0.000	1	114.4340	0.000	1	109.5873	2.190	15	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.2760	0.109	2	108.2760	0.012	2	109.5873	2.190	15	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(CCHH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	108.5230	0.000	1	108.5230	0.000	1	109.5873	2.190	15	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5]C[6]O)(CCHH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5]C[6]O)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.0675	0.446	2	109.0675	0.199	2	109.5873	2.190	15	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(CH3)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4230	0.000	1	109.4230	0.000	1	109.5873	2.190	15	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHHN)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHHN)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.2410	0.000	1	110.2410	0.000	1	109.5873	2.190	15	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2H)(O[5]C[5])(H){1|O<2>,1|S<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H){1|C<3>,3|H<1>,4|C<4>,4|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.0120	0.313	2	109.0120	0.098	2	109.0120	0.098	2	109.5719	1.405	28	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H){1|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH){1|O<1>,3|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6670	0.000	1	109.6670	0.000	1	109.6670	0.000	1	108.5104	0.425	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	107.7440	0.000	1	107.7440	0.000	1	107.7440	0.000	1	108.5104	0.425	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.8210	0.000	1	107.8210	0.000	1	108.1165	0.175	2	108.5104	0.425	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.4120	0.000	1	108.4120	0.000	1	108.1165	0.175	2	108.5104	0.425	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH)	H(C[5,6]C[5,6]Se[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]Se[5]C[6])	108.7285	0.210	2	108.7285	0.044	2	108.6430	0.044	3	108.5104	0.425	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH)	H(C[5,6]C[5,6]Se[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]Se[5]C[6])	108.4720	0.000	1	108.4720	0.000	1	108.6430	0.044	3	108.5104	0.425	7	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCHH)(NHS)	H(C[5,6]C[5,6]Se[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCHH)(NHS){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]Se[5]C[6])	108.7990	0.000	1	108.7990	0.000	1	108.7990	0.000	1	108.7990	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.5370	0.000	1	110.1249	0.046	11	110.1249	0.046	11	110.0192	0.176	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.0837	0.174	10	110.1249	0.046	11	110.1249	0.046	11	110.0192	0.176	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CH3)2{1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.8560	0.000	1	108.8560	0.000	1	108.8560	0.000	1	110.0192	0.176	12	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[4,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[4,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.6335	0.640	2	105.6335	0.410	2	106.1778	0.603	6	108.4031	4.058	18	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[6](C[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.6910	0.000	1	105.6910	0.000	1	106.1778	0.603	6	108.4031	4.058	18	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.9070	0.000	1	105.9070	0.000	1	106.1778	0.603	6	108.4031	4.058	18	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.1010	0.021	2	107.1010	0.000	2	106.1778	0.603	6	108.4031	4.058	18	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.1240	0.000	1	108.6890	1.552	3	108.6890	1.552	3	108.4031	4.058	18	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9715	0.124	2	108.6890	1.552	3	108.6890	1.552	3	108.4031	4.058	18	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.6305	0.128	2	109.3343	0.271	3	108.8137	1.265	4	108.4031	4.058	18	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7420	0.000	1	109.3343	0.271	3	108.8137	1.265	4	108.4031	4.058	18	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.2520	0.000	1	107.2520	0.000	1	108.8137	1.265	4	108.4031	4.058	18	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)(N[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	111.9030	0.000	1	111.9030	0.000	1	110.5732	1.221	5	108.4031	4.058	18	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(N[5]C[5]H)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]N[5]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	111.6540	0.000	1	111.6540	0.000	1	110.5732	1.221	5	108.4031	4.058	18	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	109.7450	0.000	1	109.7697	0.005	3	110.5732	1.221	5	108.4031	4.058	18	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.7820	0.098	2	109.7697	0.005	3	110.5732	1.221	5	108.4031	4.058	18	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.8920	0.000	1	104.8920	0.000	1	104.8920	0.000	1	104.8920	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5,6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5,6]O)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2240	0.000	1	107.2240	0.000	1	106.9527	0.640	4	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9430	0.000	1	106.8623	0.912	3	106.9527	0.640	4	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H){3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.3220	0.267	2	106.8623	0.912	3	106.9527	0.640	4	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]CH)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]CH)(C[5]N[5]O)(H){2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.2030	0.000	1	107.2030	0.000	1	107.0377	7.950	3	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.7710	0.000	1	109.7710	0.000	1	107.0377	7.950	3	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,7|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	104.1390	0.000	1	104.1390	0.000	1	107.0377	7.950	3	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[5a,6]C[5a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]N[5a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[5a,6]C[5a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]N[5a])(H){1|N<2>,1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.7550	0.000	1	106.7550	0.000	1	106.7550	0.000	1	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7140	6.334	2	109.7140	40.123	2	109.7140	40.123	2	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2855	0.517	2	108.0977	0.239	3	107.0770	2.382	20	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7220	0.000	1	108.0977	0.239	3	107.0770	2.382	20	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|F<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8320	0.000	1	106.4416	1.830	14	107.0770	2.382	20	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9090	0.000	1	106.4416	1.830	14	107.0770	2.382	20	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8724	0.178	7	106.4416	1.830	14	107.0770	2.382	20	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	105.9620	0.000	1	106.4416	1.830	14	107.0770	2.382	20	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	102.5840	0.000	1	106.4416	1.830	14	107.0770	2.382	20	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.2630	1.547	3	106.4416	1.830	14	107.0770	2.382	20	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.0213	0.662	3	109.0213	0.438	3	107.0770	2.382	20	107.2795	3.842	32	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3x6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3x6]CH)(C[5]N[5]O)(H)	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3x6]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	110.2532	2.347	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]CH)(C[5]C[5]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]CH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CHHO)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	110.2532	2.347	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]CH)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]CH)(C[5]O[5]O)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	111.7700	0.000	1	111.7700	0.000	1	111.7700	0.000	1	110.2532	2.347	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	110.2532	2.347	4	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:4:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.5540	0.000	1	108.5540	0.000	1	108.4110	0.041	2	108.4110	0.041	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	3:4:4:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.2680	0.000	1	108.2680	0.000	1	108.4110	0.041	2	108.4110	0.041	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|N<2>,1|O<1>,1|S<4>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.2520	0.000	1	110.4527	0.084	3	109.8980	0.281	9	109.9963	0.346	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.5530	0.330	2	110.4527	0.084	3	109.8980	0.281	9	109.9963	0.346	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.9320	0.000	1	109.6207	0.138	6	109.8980	0.281	9	109.9963	0.346	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.3440	0.000	1	109.6207	0.138	6	109.8980	0.281	9	109.9963	0.346	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.6120	0.416	4	109.6207	0.138	6	109.8980	0.281	9	109.9963	0.346	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]S[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(S[6]C[6,6])(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]S[6]HH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(S[6]C[6,6])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]N[5])	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	109.9963	0.346	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.3650	0.000	1	108.3650	0.000	1	108.3650	0.000	1	109.4713	1.406	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3110	0.000	1	108.3110	0.000	1	110.0353	2.304	3	109.4713	1.406	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8975	0.384	2	110.8975	0.147	2	110.0353	2.304	3	109.4713	1.406	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(N[5]P[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(OC)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(N[5]P[5]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,1|P<4>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.9880	0.000	1	108.9880	0.000	1	108.9880	0.000	1	109.4713	1.406	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:S-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HS)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(SC)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HS)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(SC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.3690	0.000	1	109.3690	0.000	1	109.3690	0.000	1	109.4713	1.406	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(CCHO)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.0960	0.000	1	109.0960	0.000	1	107.5102	3.305	4	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	104.9480	0.000	1	104.9480	0.000	1	107.5102	3.305	4	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.9985	0.598	2	107.9985	0.357	2	107.5102	3.305	4	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.2360	0.569	3	110.2360	0.323	3	110.2360	0.323	3	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]H)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]H)(H)2{2|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.1900	0.000	1	110.1900	0.000	1	110.1455	1.764	6	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]O[6]O)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.7710	0.000	1	110.7710	0.000	1	110.1455	1.764	6	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]HH)(N[5]O[5]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]HH)(N[5]O[5]C)(H){1|C<3>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>,3|O<2>}	H(C[5,6]C[5,5,6]C[6]N[5])	112.2450	0.000	1	112.2450	0.000	1	110.1455	1.764	6	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H)2{3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.9140	0.000	1	108.9140	0.000	1	110.1455	1.764	6	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.5650	0.000	1	108.5650	0.000	1	110.1455	1.764	6	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6a]O)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6a]O)(H)2{2|C<4>,4|C<3>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.1880	0.000	1	110.1880	0.000	1	110.1455	1.764	6	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.7880	0.000	1	106.7880	0.000	1	106.7880	0.000	1	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6,6]C[6]N[5])	109.8110	0.000	1	109.8110	0.000	1	109.8110	0.000	1	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.6560	0.000	1	108.4285	9.924	2	109.3346	1.104	18	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.2010	0.000	1	108.4285	9.924	2	109.3346	1.104	18	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.6837	0.205	3	109.4478	0.467	16	109.3346	1.104	18	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3210	0.798	2	109.4478	0.467	16	109.3346	1.104	18	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.5387	0.621	7	109.4478	0.467	16	109.3346	1.104	18	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9820	1.636	2	109.4478	0.467	16	109.3346	1.104	18	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8270	0.000	1	109.4478	0.467	16	109.3346	1.104	18	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.9100	0.000	1	109.4478	0.467	16	109.3346	1.104	18	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]BrH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Br)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]BrH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Br)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.0620	0.259	2	109.0620	0.067	2	109.0620	0.067	2	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Cl)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.5706	0.299	5	108.5706	0.090	5	108.5706	0.090	5	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.2780	0.000	1	109.2780	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.0955	1.295	2	109.0955	1.676	2	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.6730	0.000	1	111.6730	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4158	0.917	4	110.4158	0.840	4	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.1580	0.000	1	108.1580	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.0540	0.000	1	109.8425	0.089	2	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.6310	0.000	1	109.8425	0.089	2	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.4235	0.486	2	109.4235	0.236	2	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7260	0.000	1	111.7260	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.9380	0.000	1	112.9380	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Si)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|Si<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Si)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.6700	0.000	1	108.6700	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3390	0.000	1	107.3390	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.0550	0.000	1	110.0550	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.6740	0.201	2	108.2799	1.667	16	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0390	1.237	3	108.2799	1.667	16	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.7700	0.000	1	108.2799	1.667	16	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.2863	1.132	3	108.2799	1.667	16	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.9355	0.713	2	108.2799	1.667	16	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.7290	0.000	1	108.2799	1.667	16	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.9462	0.344	4	108.2799	1.667	16	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.9900	0.000	1	108.5915	1.651	21	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.5235	0.500	2	108.5915	1.651	21	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.2040	0.000	1	108.5915	1.651	21	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2975	0.448	2	108.5915	1.651	21	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2345	0.091	2	108.5915	1.651	21	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.5730	0.000	1	108.5915	1.651	21	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4457	0.117	3	108.5915	1.651	21	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.1750	0.000	1	108.5915	1.651	21	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0580	0.000	1	108.5915	1.651	21	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.7370	0.000	1	108.5915	1.651	21	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4570	0.000	1	108.5915	1.651	21	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8620	0.333	4	108.5915	1.651	21	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.3320	0.000	1	108.5915	1.651	21	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0670	0.000	1	108.0670	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.5050	0.000	1	109.5145	0.000	2	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.5240	0.000	1	109.5145	0.000	2	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.3830	0.000	1	106.3830	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.9740	0.000	1	109.5969	0.650	11	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7190	0.636	2	109.5969	0.650	11	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8942	0.702	8	109.5969	0.650	11	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.3880	0.000	1	110.3880	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.2180	0.000	1	109.2180	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4070	0.000	1	108.4070	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.2000	0.274	2	109.1376	0.789	9	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.1197	1.019	7	109.1376	0.789	9	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C[6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.6410	0.000	1	109.6410	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.5327	0.542	4	109.3033	2.300	9	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.4507	1.653	3	109.3033	2.300	9	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.6235	3.294	2	109.3033	2.300	9	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|S<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]S)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.8520	0.000	1	107.8520	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.1150	0.000	1	107.8800	0.110	2	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.6450	0.000	1	107.8800	0.110	2	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.4550	0.000	1	108.3702	0.023	5	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.3490	0.167	4	108.3702	0.023	5	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|N<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7040	0.000	1	109.7040	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.3850	0.000	1	106.3850	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.2390	0.000	1	108.2390	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]S)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]S)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.6810	0.000	1	109.6810	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{2|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4100	0.000	1	109.4100	0.000	1	108.9778	1.737	105	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6470	0.000	1	108.3770	1.066	2	108.9620	0.450	7	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1070	0.000	1	108.3770	1.066	2	108.9620	0.450	7	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.0950	0.458	2	109.1960	0.170	5	108.9620	0.450	7	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.2633	0.466	3	109.1960	0.170	5	108.9620	0.450	7	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(Br)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.8130	0.000	1	111.8130	0.000	1	111.8130	0.000	1	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.6480	0.000	1	109.2710	0.284	2	109.1631	0.194	7	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.8940	0.000	1	109.2710	0.284	2	109.1631	0.194	7	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.8180	0.000	1	109.8180	0.000	1	109.1631	0.194	7	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8057	0.047	3	108.8057	0.002	3	109.1631	0.194	7	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	109.3650	0.000	1	109.3650	0.000	1	109.1631	0.194	7	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]S)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H){1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]S)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.3610	0.000	1	110.3610	0.000	1	110.2208	0.526	4	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	109.6655	0.005	2	109.6655	0.000	2	110.2208	0.526	4	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(N[5]C[5]S)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.1910	0.000	1	111.1910	0.000	1	110.2208	0.526	4	109.0821	1.641	164	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.1400	0.115	3	109.1400	0.013	3	109.1400	0.013	3	109.3412	1.808	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	109.3412	1.808	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){2|C<3>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.0910	0.000	1	106.0910	0.000	1	106.0910	0.000	1	109.3412	1.808	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.3640	0.950	2	109.3640	0.903	2	109.3640	0.903	2	109.3412	1.808	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	109.3412	1.808	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(C[5]C[5]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.7870	0.000	1	111.7870	0.000	1	109.5202	2.013	6	109.3412	1.808	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	109.6760	0.000	1	109.6760	0.000	1	109.5202	2.013	6	109.3412	1.808	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OSi)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OSi)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8160	0.000	1	109.8160	0.000	1	109.5202	2.013	6	109.3412	1.808	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4180	0.000	1	107.4180	0.000	1	109.5202	2.013	6	109.3412	1.808	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2120	0.455	2	109.2120	0.207	2	109.5202	2.013	6	109.3412	1.808	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]O[5]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(H){5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|Br<1>,1|C<2>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	111.2200	0.000	1	111.2200	0.000	1	110.9730	0.122	2	109.3412	1.808	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]O)(H){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.7260	0.000	1	110.7260	0.000	1	110.9730	0.122	2	109.3412	1.808	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.3412	1.808	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]C[6a]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]C[6a]H)(C[5]N[5]O)(H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.8857	0.045	3	107.8857	0.002	3	107.8857	0.002	3	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:B[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]B[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(B[5]O[5]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]B[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(B[5]O[5]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]C[5]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5060	0.188	2	111.5060	0.035	2	110.1612	2.476	4	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.5340	0.000	1	108.5340	0.000	1	110.1612	2.476	4	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0990	0.000	1	109.0990	0.000	1	110.1612	2.476	4	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9730	0.000	1	108.6237	0.101	3	108.9992	0.317	5	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4490	0.134	2	108.6237	0.101	3	108.9992	0.317	5	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	109.5000	0.000	1	109.5625	0.008	2	108.9992	0.317	5	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.6250	0.000	1	109.5625	0.008	2	108.9992	0.317	5	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6340	0.000	1	109.6340	0.000	1	109.3935	0.116	2	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.1530	0.000	1	109.1530	0.000	1	109.3935	0.116	2	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N[5]H)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N[5]H)(C[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.3360	0.000	1	112.3360	0.000	1	108.5370	7.777	4	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.7910	0.000	1	105.7910	0.000	1	108.5370	7.777	4	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0105	0.896	2	108.0105	0.803	2	108.5370	7.777	4	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]C[5]H)(H){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5020	0.000	1	106.5020	0.000	1	109.2492	0.472	24	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.5555	0.349	2	109.2363	0.366	3	109.2492	0.472	24	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.5980	0.000	1	109.2363	0.366	3	109.2492	0.472	24	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|B<3>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9850	0.106	2	109.2542	0.102	4	109.2492	0.472	24	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5235	0.066	2	109.2542	0.102	4	109.2492	0.472	24	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9630	0.000	1	109.9630	0.000	1	109.2492	0.472	24	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2480	0.000	1	109.2415	0.000	2	109.2492	0.472	24	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.2350	0.000	1	109.2415	0.000	2	109.2492	0.472	24	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.4082	0.344	13	109.4082	0.118	13	109.2492	0.472	24	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]CH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.3320	0.000	1	113.3320	0.000	1	113.3320	0.000	1	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]N[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[6]N[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){3|C<3>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	109.2523	1.598	46	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:B[5]-3:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]B[5]C[6]C)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(B[5]O[5]2)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]B[5]C[6]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(B[5]O[5]2)(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.8660	0.038	2	108.8660	0.001	2	108.8660	0.001	2	108.8660	0.001	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[3,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	H(C[5,6]C[3,5,6]C[5]C[6])	C[5,6](C[3,5,6]C[3,5]C[3,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,3|H<1>}	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[3,5,6]C[5]C[6])	109.6630	0.000	1	109.6630	0.000	1	110.2520	0.694	2	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[3,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	H(C[5,6]C[3,5,6]C[5]C[6])	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[3,5,6]C[5]C[6])	110.8410	0.000	1	110.8410	0.000	1	110.2520	0.694	2	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[4,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H){2|C<3>,3|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[4,5,6]C[5]C[6])	108.4050	0.000	1	108.4050	0.000	1	107.8110	0.706	2	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[4,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[4,5,6]C[5]C[6])	107.2170	0.000	1	107.2170	0.000	1	107.8110	0.706	2	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(CH3)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(CH3)(H){1|O<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.6385	1.391	2	110.6385	1.935	2	109.9703	2.307	3	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.6340	0.000	1	108.6340	0.000	1	109.9703	2.307	3	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.9760	0.000	1	107.9760	0.000	1	106.7613	10.878	3	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CCHH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2800	0.000	1	109.2800	0.000	1	106.7613	10.878	3	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	103.0280	0.000	1	103.0280	0.000	1	106.7613	10.878	3	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6740	0.000	1	108.6740	0.000	1	108.6155	0.474	15	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CHHN)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CHHN)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3980	0.000	1	109.3980	0.000	1	108.6155	0.474	15	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6260	0.000	1	108.5805	0.004	2	108.6155	0.474	15	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.5350	0.000	1	108.5805	0.004	2	108.6155	0.474	15	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CN[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CN[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7555	0.274	2	108.7555	0.075	2	108.6155	0.474	15	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4190	0.000	1	108.4190	0.000	1	108.6155	0.474	15	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4720	0.000	1	108.4720	0.000	1	108.6155	0.474	15	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2970	0.000	1	109.2970	0.000	1	108.6155	0.474	15	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4150	0.000	1	108.4150	0.000	1	108.6155	0.474	15	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.7395	1.555	2	108.7395	2.418	2	108.6155	0.474	15	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.9970	0.000	1	106.9970	0.000	1	108.6155	0.474	15	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.7050	0.499	2	108.7050	0.249	2	108.6155	0.474	15	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.5580	0.000	1	109.5580	0.000	1	109.5580	0.000	1	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5]C)(H){3|C<3>,8|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:S[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(S[5,6]C[5,6]OO)(C[5]C[5]C)(H)	C[6](C[5,6]S[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[5,6]S[5,6]C[5]C[6])	C[5,6](C[6]C[6a]C[6]H)(S[5,6]C[5,6]OO)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]S[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5,6]S[5,6]C[5]C[6])	112.1030	0.059	2	112.1030	0.004	2	112.1030	0.004	2	108.9308	2.763	30	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(CCO)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]CC)(C[5]O[5]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(CCO){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.1040	0.000	1	106.1040	0.000	1	106.1040	0.000	1	106.1040	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]C[6a])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[3,5,6]C[6]N[5])	C[5,6](C[3,5,6]C[3,5]C[3,6]C[6a])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[5,6]C[3,5,6]C[6]N[5])	109.7480	0.000	1	109.7480	0.000	1	110.3123	0.229	4	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[3,5,6]C[6]N[5])	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[3,5,6]C[6]N[5])	110.6315	0.398	2	110.6315	0.158	2	110.3123	0.229	4	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[3,5,6]C[6]N[5])	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[3,5,6]C[6]N[5])	110.2380	0.000	1	110.2380	0.000	1	110.3123	0.229	4	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{2|O<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5]C[6])	106.7820	0.000	1	107.5850	0.487	3	107.5850	0.487	3	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>}	H(C[5,6]C[3x5,6]C[5]C[6])	107.9865	0.083	2	107.5850	0.487	3	107.5850	0.487	3	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,4x6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,4x6]C[5]C[6])	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,4x6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,4x6]C[5]C[6])	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,5,6,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[6]N[5])	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6,6]C[6]N[5])	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]N[5])(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]N[5])(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.3510	0.000	1	108.6795	3.530	2	107.8138	1.159	6	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.0080	0.000	1	108.6795	3.530	2	107.8138	1.159	6	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.3810	0.077	4	107.3810	0.006	4	107.8138	1.159	6	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,4x6]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.7575	3.987	2	111.7575	15.899	2	109.7704	7.557	8	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	112.3200	0.000	1	112.3200	0.000	1	109.7704	7.557	8	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.0730	0.000	1	107.3207	1.807	3	109.7704	7.557	8	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.1450	0.000	1	107.3207	1.807	3	109.7704	7.557	8	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.7440	0.000	1	107.3207	1.807	3	109.7704	7.557	8	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]B[5]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]B[5]C)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.7520	0.000	1	110.7520	0.000	1	109.7704	7.557	8	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.6140	0.000	1	109.6140	0.000	1	109.7704	7.557	8	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[5,6]C[5,6]N[5]H)(H)2	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H){1|N<3>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[5,6]C[5,6]N[5]H)(H)2{9|C<4>}	H(C[5,6]C[5,6,6]C[6]N[5])	108.1842	0.571	4	108.1842	0.326	4	108.1842	0.326	4	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]N[5])	110.2597	0.342	4	110.2597	0.117	4	110.0089	0.329	7	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]N[5])	110.4620	0.000	1	110.4620	0.000	1	110.0089	0.329	7	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){3|C<3>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]N[5])	109.2805	0.329	2	109.2805	0.108	2	110.0089	0.329	7	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]N[5]O)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.1740	0.829	2	108.1740	0.687	2	108.1740	0.687	2	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[4x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[4x6]HH)(C[5]O[5]O)(H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[4x6]HH)(C[5]O[5]O)(H){1|H<1>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2{1|O<1>,2|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.1480	0.000	1	112.1480	0.000	1	112.1480	0.000	1	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HH)(C[5]C[3,5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HH)(C[5]C[3,5]O)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<1>,2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.1180	0.000	1	106.1180	0.000	1	109.1939	3.714	13	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.8490	0.154	2	111.8490	0.024	2	109.1939	3.714	13	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.0130	0.000	1	105.0130	0.000	1	109.1939	3.714	13	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)2(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)2(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	109.3050	0.571	8	109.3050	0.327	8	109.1939	3.714	13	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.2520	0.000	1	110.2520	0.000	1	109.1939	3.714	13	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(C[5]O[5]O)(H){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.4460	0.000	1	112.4460	0.000	1	110.3857	5.971	6	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.6560	0.000	1	112.6560	0.000	1	110.3857	5.971	6	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]O[5]O)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.9000	0.000	1	105.9000	0.000	1	110.3857	5.971	6	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.2530	0.000	1	110.4373	0.164	3	110.3857	5.971	6	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.5295	0.527	2	110.4373	0.164	3	110.3857	5.971	6	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]ClH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]ClH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	112.1630	0.000	1	112.1630	0.000	1	112.1630	0.000	1	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5900	0.000	1	111.5900	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4470	0.000	1	111.5487	0.099	4	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5827	0.376	3	111.5487	0.099	4	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7804	0.974	5	110.9400	0.911	6	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.7380	0.000	1	110.9400	0.911	6	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7630	0.000	1	111.7630	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1620	0.000	1	111.3717	0.633	3	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4765	1.095	2	111.3717	0.633	3	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4087	0.158	4	111.6683	0.123	12	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6225	0.355	4	111.6683	0.123	12	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7345	0.127	2	111.6683	0.123	12	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.2125	0.005	2	111.6683	0.123	12	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2640	0.208	3	111.4909	0.077	7	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6633	0.230	3	111.4909	0.077	7	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6540	0.000	1	111.4909	0.077	7	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	112.3635	0.165	2	112.3635	0.027	2	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.3950	0.963	2	111.9845	0.543	4	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5740	0.170	2	111.9845	0.543	4	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2492	0.588	5	111.3813	0.381	6	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.0420	0.000	1	111.3813	0.381	6	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.3140	0.000	1	112.3140	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1330	0.000	1	111.1330	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.2950	0.000	1	109.2950	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]O)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.9075	0.011	2	110.9075	0.000	2	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.4870	0.000	1	107.4870	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.8540	0.000	1	111.8540	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	117.1760	0.000	1	117.1760	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]N[5]O)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.8870	0.000	1	111.8870	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6240	0.000	1	110.6240	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	112.5400	0.004	2	112.1746	0.113	5	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.9310	0.061	3	112.1746	0.113	5	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	112.1085	0.216	2	112.1085	0.047	2	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CC)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4360	0.000	1	107.4360	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]O[6]H)(H)2{2|C<4>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.6540	0.000	1	110.6540	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9110	0.105	2	109.2760	8.025	3	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.0060	0.000	1	109.2760	8.025	3	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.8560	0.000	1	110.8560	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]F)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]FH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]F)(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]FH)(H)2{1|H<1>,2|F<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.8000	2.403	2	108.8000	5.773	2	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4170	0.000	1	106.4170	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8123	1.888	10	108.3414	3.926	18	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5875	2.261	4	108.3414	3.926	18	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3190	2.502	2	108.3414	3.926	18	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5175	0.097	2	108.3414	3.926	18	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	110.5050	0.000	1	110.5050	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]N)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]N)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.4360	0.000	1	108.4360	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<2>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8330	0.000	1	108.3419	2.201	7	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8835	0.339	2	108.3419	2.201	7	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9110	0.000	1	108.3419	2.201	7	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1780	0.000	1	108.3419	2.201	7	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6280	0.000	1	108.3419	2.201	7	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0760	0.000	1	108.3419	2.201	7	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.2370	0.000	1	108.9900	3.110	2	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.7430	0.000	1	108.9900	3.110	2	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.0635	0.316	2	107.7533	0.356	4	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.4430	0.764	2	107.7533	0.356	4	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HN)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HN)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.3790	0.000	1	110.3790	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HO)(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.7890	0.000	1	109.7890	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]N)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]N)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<2>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.6070	0.000	1	107.6070	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.7705	0.347	2	105.7705	0.121	2	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.8000	0.000	1	107.8000	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.0637	0.740	4	110.0637	0.548	4	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.0620	0.057	2	107.8050	0.200	3	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.2910	0.000	1	107.8050	0.200	3	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.4340	0.000	1	109.4340	0.000	1	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]C[5]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.7060	0.171	2	110.7060	0.029	2	110.1511	4.320	121	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.5450	1.622	2	107.5450	2.631	2	108.7622	1.338	20	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.6360	0.037	2	108.8349	0.301	14	108.7622	1.338	20	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.7477	0.501	8	108.8349	0.301	14	108.7622	1.338	20	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.2687	0.838	3	108.8349	0.301	14	108.7622	1.338	20	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.6280	0.000	1	108.8349	0.301	14	108.7622	1.338	20	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[3x6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.5770	0.000	1	110.5770	0.000	1	108.7622	1.338	20	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H){1|C<3>,1|N<3>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.5160	0.000	1	108.6297	6.249	3	108.7622	1.338	20	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H){1|C<3>,1|N<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.1865	0.036	2	108.6297	6.249	3	108.7622	1.338	20	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[5,6]C[5,6]N[5]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H){1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[5,6]C[5,6]N[5]H)(H)2{9|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.2660	0.458	4	110.2660	0.209	4	110.2660	0.209	4	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.8505	0.145	2	109.8505	0.021	2	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]N[5])	111.9780	0.000	1	111.9780	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]O[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]O[5]S)(H){1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.4620	0.000	1	109.4620	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.6060	0.061	2	108.6060	0.004	2	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.5320	0.000	1	108.4591	1.139	7	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.4960	0.182	2	108.4591	1.139	7	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.2143	0.404	3	108.4591	1.139	7	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	107.0470	0.000	1	108.4591	1.139	7	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]ClH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|Cl<1>,1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.1750	0.000	1	110.1750	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.1380	0.000	1	109.4565	0.489	11	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.8080	0.000	1	109.4565	0.489	11	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9276	0.119	5	109.4565	0.489	11	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,8|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.0510	0.000	1	109.4565	0.489	11	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.7220	0.000	1	109.4565	0.489	11	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.8325	0.134	2	109.4565	0.489	11	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.6960	0.000	1	110.6960	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3820	0.000	1	109.0253	0.427	3	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.3470	0.482	2	109.0253	0.427	3	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CC)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CC)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.6685	0.446	2	110.6685	0.199	2	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.3070	0.379	2	109.5506	0.725	10	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8850	0.383	2	109.5506	0.725	10	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.0140	0.000	1	109.5506	0.725	10	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|F<1>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.7800	0.000	1	109.5506	0.725	10	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.4720	0.000	1	109.5506	0.725	10	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.5550	0.000	1	109.5506	0.725	10	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.0000	0.000	1	109.5506	0.725	10	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3010	0.000	1	109.5506	0.725	10	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2{1|H<1>,2|S<4>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.7640	0.000	1	109.7640	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(H)2{1|H<1>,1|S<4>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.3945	0.940	2	109.3945	0.883	2	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]C)(H){1|C<3>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.1370	0.000	1	110.1370	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.2730	0.000	1	110.1483	0.090	3	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.0860	0.396	2	110.1483	0.090	3	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.3255	0.081	2	109.8157	0.783	3	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.7960	0.000	1	109.8157	0.783	3	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6600	0.000	1	108.6600	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	107.2040	0.000	1	107.2040	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	109.5260	0.000	1	109.5260	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]S)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]C[5]S)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2{1|S<3>,1|S<4>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.0265	0.187	2	109.0265	0.035	2	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	110.0900	0.000	1	110.0900	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.9550	0.000	1	110.9550	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6170	0.264	2	106.5327	13.143	60	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7354	0.771	32	106.5327	13.143	60	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.4790	0.153	2	106.5327	13.143	60	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	103.3433	3.884	24	106.5327	13.143	60	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	97.2694	0.849	16	103.3422	32.448	35	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.2390	0.000	1	103.3422	32.448	35	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.0380	0.314	2	103.3422	32.448	35	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7505	0.695	4	103.3422	32.448	35	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Ir<8>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.5705	0.745	4	103.3422	32.448	35	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Rh<8>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6870	0.129	4	103.3422	32.448	35	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.0800	0.454	4	103.3422	32.448	35	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Ir)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Ir)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Ir<8>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.0555	0.439	4	107.0555	0.193	4	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]N)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]N)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3960	4.088	2	108.3960	16.716	2	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Rh)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Rh)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Rh<8>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.6260	0.666	4	107.6260	0.444	4	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|B<4>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.7537	1.060	4	107.9894	1.968	56	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|Cl<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.1055	0.104	2	107.9894	1.968	56	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3358	0.367	10	107.9894	1.968	56	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	106.9959	2.731	8	107.9894	1.968	56	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.7830	1.515	16	107.9894	1.968	56	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.4761	0.413	14	107.9894	1.968	56	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|Pd<5>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8310	0.151	2	107.9894	1.968	56	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<3>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	106.3645	1.294	4	106.3645	1.675	4	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]N[5])	111.7220	0.000	1	111.7220	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.9390	0.000	1	110.9390	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.1200	0.000	1	110.1200	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HO)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9910	0.000	1	109.9910	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HS)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HS)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9970	0.000	1	109.9970	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<2>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.3780	0.000	1	109.5660	9.575	2	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|S<1>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.7540	0.000	1	109.5660	9.575	2	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	110.2680	0.000	1	110.2680	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){2|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.3820	1.716	5	109.3820	2.946	5	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]HH)(C[6]C[6]HH)(N[5]C[5]O)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]N[5,6]HH)(C[6]C[6]HH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,1|S<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	112.8190	0.000	1	112.8190	0.000	1	107.3784	13.142	237	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.1620	0.365	2	110.1620	0.133	2	110.0313	0.118	3	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.7700	0.000	1	109.7700	0.000	1	110.0313	0.118	3	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:S[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(S[5]C[5]O)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(S[5]C[5]O)(H){1|C<3>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]S[5])	106.9940	0.073	3	106.9940	0.005	3	106.9940	0.005	3	108.4848	10.198	447	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.4770	0.000	1	109.6440	9.392	2	109.6440	9.392	2	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.8110	0.000	1	109.6440	9.392	2	109.6440	9.392	2	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[3,5,6]HO)(C[5]C[3,5]C)(H)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[3,5,6]HO)(C[5]C[3,5]C)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,2|O<2>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.9140	0.000	1	104.9140	0.000	1	104.9140	0.000	1	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.7560	0.000	1	106.7560	0.000	1	106.7560	0.000	1	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.2690	0.000	1	107.2690	0.000	1	107.2690	0.000	1	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.3390	0.325	2	112.3390	0.106	2	111.3472	0.636	6	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.8877	0.233	3	110.8877	0.054	3	111.3472	0.636	6	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	110.7420	0.000	1	110.7420	0.000	1	111.3472	0.636	6	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H){2|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.6007	0.201	3	109.6007	0.041	3	109.6007	0.041	3	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(N[5]C[5]O)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CC)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.2780	0.000	1	109.2780	0.000	1	109.2780	0.000	1	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]BrH)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]BrH)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|Br<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.3730	0.000	1	111.3730	0.000	1	109.6010	6.701	10	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.8520	0.000	1	111.8520	0.000	1	109.6010	6.701	10	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H){1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|S<4>}	H(C[5,6]C[5,6]C[6]N[5])	111.6110	1.175	2	111.6110	1.381	2	109.6010	6.701	10	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.5700	0.000	1	109.5700	0.000	1	109.6010	6.701	10	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.5590	0.000	1	107.5590	0.000	1	109.6010	6.701	10	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]Os)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OOs)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]Os)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OOs)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7190	0.000	1	108.7190	0.000	1	109.6010	6.701	10	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.2660	0.000	1	110.2660	0.000	1	109.6010	6.701	10	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	103.5070	0.000	1	103.5070	0.000	1	109.6010	6.701	10	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<2>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.9420	0.000	1	109.9420	0.000	1	109.6010	6.701	10	109.6160	5.286	25	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,7|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.1760	0.158	2	105.1760	0.025	2	105.5145	0.164	4	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,7|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.8530	0.099	2	105.8530	0.010	2	105.5145	0.164	4	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.4235	0.507	2	107.1365	6.972	6	107.1365	6.972	6	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.5300	0.175	2	107.1365	6.972	6	107.1365	6.972	6	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.4560	0.148	2	107.1365	6.972	6	107.1365	6.972	6	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]CH)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7310	0.000	1	108.7310	0.000	1	108.1281	4.582	13	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H){1|C<3>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7350	0.000	1	110.7350	0.000	1	108.1281	4.582	13	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	112.6410	0.000	1	112.6410	0.000	1	108.1281	4.582	13	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H){2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5790	0.000	1	110.5790	0.000	1	108.1281	4.582	13	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2270	0.312	3	107.2270	0.097	3	108.1281	4.582	13	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.1720	0.000	1	107.1720	0.000	1	108.1281	4.582	13	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6990	2.333	2	107.6990	5.445	2	108.1281	4.582	13	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.8530	0.718	2	105.8530	0.516	2	108.1281	4.582	13	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0220	0.000	1	107.0220	0.000	1	108.1281	4.582	13	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2545	1.156	2	109.2545	1.337	2	109.2545	1.337	2	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.7900	0.000	1	107.7900	0.000	1	107.5340	0.139	3	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.1060	0.000	1	107.1060	0.000	1	107.5340	0.139	3	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.7060	0.000	1	107.7060	0.000	1	107.5340	0.139	3	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]CH)(C[5]O[5]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]CH)(C[5]O[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5200	0.000	1	107.5200	0.000	1	107.5200	0.000	1	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCO)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.8810	0.000	1	108.8810	0.000	1	111.4166	2.037	5	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(CCO)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(N[5]C[5]C)(H){1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(CCO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	112.0505	0.194	4	112.0505	0.038	4	111.4166	2.037	5	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7953	1.459	3	107.7953	2.129	3	107.7953	2.129	3	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	108.1437	5.373	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:2:	4:	S[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](S[5,6]C[5,6]OO)(C[6]C[6]CO)(C[5]C[5]H)(H)	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH)	H(C[5,6]S[5,6]C[5]C[6])	C[5,6](S[5,6]C[5,6]OO)(C[6]C[6]CO)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5,6]S[5,6]C[5]C[6])	112.2600	0.089	2	112.2600	0.008	2	112.2600	0.008	2	112.2600	0.008	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0260	0.000	1	106.0260	0.000	1	106.0260	0.000	1	105.8025	0.100	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:3:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:C-3:	C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.5790	0.000	1	105.5790	0.000	1	105.5790	0.000	1	105.8025	0.100	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[5,6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,5,6]C[5]H)(CH3)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,5,6]C[5]H)(CH3)(H){1|O<1>,2|C<4>,3|H<1>,4|O<2>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.7600	0.438	2	109.7600	0.192	2	109.7600	0.192	2	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2825	0.353	2	108.2825	0.125	2	108.2825	0.125	2	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]CH)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.2040	0.000	1	112.2040	0.000	1	112.2040	0.000	1	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1120	2.595	3	111.1120	6.736	3	109.0631	3.779	16	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.3260	0.000	1	112.3260	0.000	1	109.0631	3.779	16	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.6470	0.000	1	109.1673	1.218	3	109.0631	3.779	16	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.9275	1.446	2	109.1673	1.218	3	109.0631	3.779	16	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6480	0.000	1	109.6480	0.000	1	109.0631	3.779	16	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(CHHO)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.3000	0.000	1	107.3000	0.000	1	109.0631	3.779	16	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.7430	0.000	1	108.7430	0.000	1	109.0631	3.779	16	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.6870	0.000	1	107.6870	0.000	1	109.0631	3.779	16	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.2660	0.317	3	108.2660	0.100	3	109.0631	3.779	16	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)(H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9200	0.000	1	106.9200	0.000	1	109.0631	3.779	16	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(C[5]N[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7490	0.000	1	106.7490	0.000	1	109.0631	3.779	16	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.4503	1.618	3	107.8367	2.343	4	107.8367	2.343	4	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.9960	0.000	1	107.8367	2.343	4	107.8367	2.343	4	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.5810	0.000	2	108.3923	0.107	3	108.1717	0.387	6	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.0150	0.000	1	108.3923	0.107	3	108.1717	0.387	6	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CCHH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.1550	0.000	1	108.1550	0.000	1	108.1717	0.387	6	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	107.0230	0.000	1	107.0230	0.000	1	108.1717	0.387	6	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5a,6]HH)(CCHH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5a,6]HH)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.6750	0.000	1	108.6750	0.000	1	108.1717	0.387	6	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H)	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H){1|O<1>,2|C<3>,3|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.6510	0.000	1	111.6510	0.000	1	111.7005	0.006	4	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H)	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.7170	0.083	3	111.7170	0.007	3	111.7005	0.006	4	109.1565	3.422	35	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.8920	0.441	2	107.8920	0.195	2	107.8920	0.195	2	107.8920	0.195	2	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(COO){1|C<2>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.4330	0.000	1	106.4330	0.000	1	108.6926	1.699	5	108.6926	1.699	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.2575	0.371	4	109.2575	0.137	4	108.6926	1.699	5	108.6926	1.699	5	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]2C[5])(C[6]C[6]CC)(C[5]O[5]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.2975	2.447	6	108.2975	5.989	6	108.2975	5.989	6	107.5743	3.168	24	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]O)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4220	0.000	1	111.4220	0.000	1	107.0884	2.357	15	107.5743	3.168	24	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.6632	1.095	11	106.6632	1.198	11	107.0884	2.357	15	107.5743	3.168	24	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]O[5]O)(H){1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2030	0.324	3	107.2030	0.105	3	107.0884	2.357	15	107.5743	3.168	24	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[3x6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5]H)(CH3)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7930	0.000	2	108.7930	0.000	2	108.7930	0.000	2	107.5743	3.168	24	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]C)(H){1|C<4>,1|S<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.0870	0.000	1	108.0870	0.000	1	108.0870	0.000	1	107.5743	3.168	24	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]C[5]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H){1|C<4>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.5605	0.172	2	108.5605	0.030	2	108.5605	0.030	2	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]H)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.1440	0.000	1	110.1440	0.000	1	110.1440	0.000	1	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6,6]N[5,6]H)(H)2	H(C[5,6]C[5,6,6]N[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6,6]N[5,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]N[5,6]C[6])	106.6350	0.000	1	106.6350	0.000	1	106.6350	0.000	1	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]2H)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[5,6]2C[6])	107.7310	0.000	1	107.7310	0.000	1	107.7310	0.000	1	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	108.4580	0.000	1	108.4580	0.000	1	108.4580	0.000	1	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)(O){1|H<1>,1|O<2>,1|S<4>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.3760	0.000	1	109.3760	0.000	1	109.3760	0.000	1	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.5185	0.036	2	110.5185	0.001	2	109.5896	2.100	10	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6410	0.000	1	110.6410	0.000	1	109.5896	2.100	10	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|H<1>,1|S<4>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4390	0.000	1	110.4390	0.000	1	109.5896	2.100	10	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]CC)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,6|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.8980	0.000	1	106.8980	0.000	1	109.5896	2.100	10	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8763	1.730	3	109.8763	2.994	3	109.5896	2.100	10	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6260	0.112	2	108.6260	0.012	2	109.5896	2.100	10	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:F-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6970	0.000	1	108.6970	0.000	1	108.6970	0.000	1	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[3,5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[3,5]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.5280	0.147	2	107.5280	0.022	2	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2170	0.000	1	107.2170	0.000	1	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H){2|O<2>,5|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.5420	0.398	3	105.5420	0.158	3	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5280	0.000	1	110.5280	0.000	1	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.7870	0.000	1	110.7870	0.000	1	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6660	0.000	1	107.6660	0.000	1	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.6860	0.000	1	108.6860	0.000	1	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9250	0.263	8	108.9250	0.069	8	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6060	0.000	1	108.2040	0.715	2	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8020	0.000	1	108.2040	0.715	2	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3853	0.083	3	108.5555	0.120	4	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0660	0.000	1	108.5555	0.120	4	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	107.9260	0.000	1	108.0168	0.065	4	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8875	0.176	2	108.0168	0.065	4	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3660	0.000	1	108.0168	0.065	4	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7680	0.181	2	106.7680	0.033	2	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.1730	0.655	2	110.1730	0.429	2	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.5410	0.000	1	110.5410	0.000	1	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8550	0.000	1	108.5390	0.200	2	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2230	0.000	1	108.5390	0.200	2	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9200	0.000	1	99.9136	128.206	2	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	91.9071	0.000	1	99.9136	128.206	2	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	108.4610	0.000	1	104.2890	34.811	2	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	100.1170	0.000	1	104.2890	34.811	2	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.9720	0.000	1	111.9720	0.000	1	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	108.5655	0.011	2	108.5655	0.000	2	107.8493	9.785	42	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1400	0.000	1	108.1400	0.000	1	108.1400	0.000	1	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	N[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1220	0.171	2	111.1220	0.029	2	111.1220	0.029	2	108.3193	7.568	63	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5260	0.000	1	108.5260	0.000	1	108.5260	0.000	1	107.7995	1.353	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7280	0.000	1	107.7280	0.000	1	107.7280	0.000	1	107.7995	1.353	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.1690	0.000	1	108.1690	0.000	1	108.1296	1.543	9	107.7995	1.353	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5095	0.295	2	106.5095	0.087	2	108.1296	1.543	9	107.7995	1.353	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3690	0.000	1	108.3690	0.000	1	108.1296	1.543	9	107.7995	1.353	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7260	0.000	1	108.7260	0.000	1	108.1296	1.543	9	107.7995	1.353	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6180	0.000	1	110.6180	0.000	1	108.1296	1.543	9	107.7995	1.353	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.5960	0.000	1	108.5960	0.000	1	108.1296	1.543	9	107.7995	1.353	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8345	0.076	2	107.8345	0.006	2	108.1296	1.543	9	107.7995	1.353	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(S[6]C[6])(H){1|S<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8955	0.035	2	106.8955	0.001	2	106.8955	0.001	2	107.7995	1.353	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H){1|H<1>,1|N<3>,1|S<2>,2|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]S[5])	105.9400	0.000	1	105.9400	0.000	1	105.9400	0.000	1	107.7995	1.353	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H){1|S<2>,2|H<1>,2|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]S[5])	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	107.7995	1.353	15	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[5,6]C[5,6]2C[6])	108.0455	1.162	2	108.0455	1.350	2	108.0455	1.350	2	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H){1|C<4>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7890	0.000	1	110.7890	0.000	1	110.7890	0.000	1	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H){1|N<3>,4|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.9270	0.262	2	107.9270	0.068	2	107.9270	0.068	2	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.5120	0.137	6	107.5120	0.019	6	107.6336	0.119	7	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3630	0.000	1	108.3630	0.000	1	107.6336	0.119	7	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2713	0.283	4	108.2713	0.080	4	108.3464	0.088	5	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6470	0.000	1	108.6470	0.000	1	108.3464	0.088	5	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	N[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.9815	0.472	2	106.9815	0.222	2	106.9815	0.222	2	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9650	0.000	1	110.9650	0.000	1	108.3599	0.649	20	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9115	0.747	2	108.1427	0.440	3	108.3599	0.649	20	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6050	0.000	1	108.1427	0.440	3	108.3599	0.649	20	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3470	0.000	1	108.4995	0.047	2	108.3599	0.649	20	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6520	0.000	1	108.4995	0.047	2	108.3599	0.649	20	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5070	0.000	1	107.5070	0.000	1	108.3599	0.649	20	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3835	0.127	2	108.3835	0.016	2	108.3599	0.649	20	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4385	0.432	8	108.4385	0.186	8	108.3599	0.649	20	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,5|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.9030	0.000	1	106.9030	0.000	1	108.3599	0.649	20	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0610	0.201	2	108.0610	0.040	2	108.3599	0.649	20	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9933	0.091	3	107.9933	0.008	3	107.9933	0.008	3	108.2241	0.801	43	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[5,6]C[5,6]2C[6])	108.4187	0.241	3	108.4187	0.058	3	108.4187	0.058	3	108.0989	0.320	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|O<1>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4400	0.000	1	108.4400	0.000	1	108.2690	0.028	3	108.0989	0.320	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1835	0.112	2	108.1835	0.013	2	108.2690	0.028	3	108.0989	0.320	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HS)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HS)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.0770	0.233	2	107.0770	0.054	2	107.7315	0.593	4	108.0989	0.320	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3160	0.000	1	108.3860	0.010	2	107.7315	0.593	4	108.0989	0.320	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4560	0.000	1	108.3860	0.010	2	107.7315	0.593	4	108.0989	0.320	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|N<3>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.2573	0.116	3	106.2573	0.013	3	106.2573	0.013	3	106.7368	0.262	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7000	0.000	1	106.6330	0.009	2	106.9423	0.224	7	106.7368	0.262	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5660	0.000	1	106.6330	0.009	2	106.9423	0.224	7	106.7368	0.262	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7610	0.000	1	106.7610	0.000	1	106.9423	0.224	7	106.7368	0.262	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6140	0.134	2	107.6140	0.018	2	106.9423	0.224	7	106.7368	0.262	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5230	0.000	1	106.5230	0.000	1	106.9423	0.224	7	106.7368	0.262	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8180	0.000	1	106.8180	0.000	1	106.9423	0.224	7	106.7368	0.262	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[3,5]C[3]2O[5])(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[3,5]H)(O[6]C[5,6])(H)2	H(C[5,6]C[5,5,6]C[3,5]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[3,5]C[3]2O[5])(C[6]O[6]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[3,5]H)(O[6]C[5,6])(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[3,5]C[6])	109.8277	0.122	3	109.8277	0.015	3	109.8277	0.015	3	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[3x5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[3,5,6]C[3x5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.3980	0.000	1	107.3980	0.000	1	108.9386	5.820	5	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]N[6])(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]N[6])(C[5]O[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.0500	0.000	1	111.0500	0.000	1	108.9386	5.820	5	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.9650	0.000	1	109.2325	14.933	2	108.9386	5.820	5	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.5000	0.000	1	109.2325	14.933	2	108.9386	5.820	5	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.7800	0.000	1	107.7800	0.000	1	108.9386	5.820	5	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	112.1580	0.025	2	109.6710	8.249	4	109.6710	8.249	4	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.1840	0.068	2	109.6710	8.249	4	109.6710	8.249	4	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]O[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[5,6]C[5,5]C[5,6]C[6])	106.3810	0.000	1	106.3810	0.000	1	106.3810	0.000	1	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:F-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){1|C<3>,2|H<1>,7|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	108.1020	0.000	1	108.0305	0.010	2	108.0305	0.010	2	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:F-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){2|C<3>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	107.9590	0.000	1	108.0305	0.010	2	108.0305	0.010	2	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.8510	0.000	1	111.8510	0.000	1	110.3095	4.752	2	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.7680	0.000	1	108.7680	0.000	1	110.3095	4.752	2	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1590	0.000	1	111.1590	0.000	1	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7162	0.243	5	108.7162	0.059	5	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6a]C)(C[5]C[5,5a]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6a]C)(C[5]C[5,5a]HH)(C[6]O[6]HH)(H){1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.3480	0.000	1	107.3480	0.000	1	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.7840	0.000	1	110.7840	0.000	1	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9280	0.000	1	110.9280	0.000	1	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6330	0.355	2	110.6330	0.126	2	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.1060	0.000	1	107.5380	0.373	2	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9700	0.000	1	107.5380	0.373	2	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H){1|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.0890	0.000	1	108.0890	0.000	1	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.3910	0.000	1	108.3910	0.000	1	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1437	0.079	3	108.4905	0.607	6	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8373	1.072	3	108.4905	0.607	6	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.0045	0.040	2	110.0045	0.002	2	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.5320	0.000	1	109.0178	0.187	11	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.9525	0.046	2	109.0178	0.187	11	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.9699	0.474	8	109.0178	0.187	11	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.3590	0.000	1	108.3590	0.000	1	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	111.3230	0.000	1	111.3230	0.000	1	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.2480	0.000	1	109.5422	1.098	4	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	111.0610	0.000	1	109.5422	1.098	4	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.9300	0.390	2	109.5422	1.098	4	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.3860	0.000	1	109.8290	2.219	3	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4900	0.000	1	109.8290	2.219	3	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.6110	0.000	1	109.8290	2.219	3	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1730	0.000	1	108.1730	0.000	1	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.2950	0.000	1	107.2950	0.000	1	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8030	0.443	2	110.8030	0.196	2	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|N<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8840	0.000	1	110.7990	0.006	3	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7565	0.029	2	110.7990	0.006	3	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6840	1.349	3	109.6840	1.818	3	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5,6]C[6,6a]H)(C[5]N[5,5,6]CC)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5,6]C[6,6a]H)(C[5]N[5,5,6]CC)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.6280	0.000	1	108.6280	0.000	1	109.2826	1.366	54	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8405	0.039	2	110.8405	0.002	2	110.8405	0.002	2	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{4|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.4510	0.000	1	108.4510	0.000	1	108.4510	0.000	1	109.2812	1.983	75	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	110.0020	0.000	1	110.0020	0.000	1	110.0020	0.000	1	111.0617	1.477	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7950	0.000	1	110.7950	0.000	1	111.5915	1.269	2	111.0617	1.477	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.3880	0.000	1	112.3880	0.000	1	111.5915	1.269	2	111.0617	1.477	3	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(CH3)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	106.6300	0.688	5	106.6300	0.474	5	106.6300	0.474	5	107.2956	2.424	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H){1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)(H){3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.5340	0.000	1	110.5340	0.000	1	108.1275	4.171	4	107.2956	2.424	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CC)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CC)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.4375	0.248	2	106.4375	0.062	2	108.1275	4.171	4	107.2956	2.424	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CCHH)(H){1|Si<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1010	0.000	1	109.1010	0.000	1	108.1275	4.171	4	107.2956	2.424	9	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(O[6]O[6])(CH3)2	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]O[6]CC)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(O[6]O[6])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	107.7430	0.000	1	107.7430	0.000	1	107.7430	0.000	1	107.5618	1.200	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]O[6])(CH3)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]O[6])(CH3)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.2510	0.000	2	106.2510	0.000	2	106.2510	0.000	2	107.5618	1.200	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.3190	0.000	1	108.3190	0.000	1	107.6679	1.195	23	107.5618	1.200	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3960	0.000	1	108.3960	0.000	1	107.6679	1.195	23	107.5618	1.200	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.6673	0.502	3	105.6673	0.252	3	107.6679	1.195	23	107.5618	1.200	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]O[6]CC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(CH3){1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7155	0.168	2	108.7155	0.028	2	107.6679	1.195	23	107.5618	1.200	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5550	0.000	1	107.5550	0.000	1	107.6679	1.195	23	107.5618	1.200	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6940	0.000	1	106.6940	0.000	1	107.6679	1.195	23	107.5618	1.200	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6877	0.376	3	108.6877	0.141	3	107.6679	1.195	23	107.5618	1.200	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7630	0.897	4	107.7489	0.761	9	107.6679	1.195	23	107.5618	1.200	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9590	0.102	2	107.7489	0.761	9	107.6679	1.195	23	107.5618	1.200	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2120	0.000	1	107.7489	0.761	9	107.6679	1.195	23	107.5618	1.200	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7790	0.062	2	107.7489	0.761	9	107.6679	1.195	23	107.5618	1.200	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7690	0.000	1	107.7690	0.000	1	107.6679	1.195	23	107.5618	1.200	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	107.3920	0.000	1	107.3920	0.000	1	107.6679	1.195	23	107.5618	1.200	26	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,6,6]C[3,6]O[3])(C[5,6,6]C[6,6]O[5,6]H)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6,6]C[6,6]2)(H)2	H(C[5,6]C[3,5,6]C[5,6,6]C[6])	C[5,6](C[3,5,6]C[5,6,6]C[3,6]O[3])(C[5,6,6]C[6,6]O[5,6]H)(C[6]C[6,6]HH)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6,6]C[6,6]2)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[3,5,6]C[5,6,6]C[6])	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[3,5,6]C[5]C[6])	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[3,5,6]C[5]C[6])	110.6830	0.000	1	110.6830	0.000	1	109.1460	1.774	3	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H)2	H(C[5,6]C[3,5,6]C[5]C[6])	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[3,5,6]C[5]C[6])	108.3775	0.069	2	108.3775	0.005	2	109.1460	1.774	3	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6a]C[4,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,6a]C[4,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[4,5,6]C[5]C[6])	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,5,6]C[5,5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|H<1>,7|C<4>}	C[6](C[5,6]C[5,5,6]C[5,5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,5]C[6])	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){3|O<1>,7|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	107.0260	0.000	1	107.0260	0.000	1	106.6452	2.705	5	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,2|O<1>,7|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)(H)2{2|C<3>,6|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	104.9230	0.222	2	104.9230	0.049	2	106.6452	2.705	5	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|N<3>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	108.1770	0.000	2	108.1770	0.000	2	106.6452	2.705	5	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.5130	0.000	1	108.5130	0.000	1	109.0947	0.820	9	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.3144	0.930	5	109.4513	0.804	6	109.0947	0.820	9	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.1360	0.000	1	109.4513	0.804	6	109.0947	0.820	9	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.9810	0.000	1	107.9810	0.000	1	109.0947	0.820	9	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>,3|O<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.6500	0.000	1	108.6500	0.000	1	109.0947	0.820	9	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.5965	0.500	2	110.5965	0.250	2	110.5965	0.250	2	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]CO)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5])(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5])(H)2{1|C<3>,3|O<2>,6|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.7810	0.000	1	106.7810	0.000	1	106.7810	0.000	1	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	108.4370	0.000	1	108.4370	0.000	1	108.4370	0.000	1	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.7790	0.000	1	107.7790	0.000	1	112.1775	38.694	2	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	116.5760	0.000	1	116.5760	0.000	1	112.1775	38.694	2	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	107.0190	0.069	4	107.0190	0.005	4	107.0190	0.005	4	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]O[5a])(H)2	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	106.9590	0.000	1	106.9590	0.000	1	106.9590	0.000	1	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2{2|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.2200	0.000	1	106.2200	0.000	1	106.2200	0.000	1	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)(H)2{1|O<2>,7|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	104.0450	0.000	1	104.0450	0.000	1	108.6175	9.387	4	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.3315	0.262	2	110.3315	0.069	2	108.6175	9.387	4	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]O)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.7620	0.000	1	109.7620	0.000	1	108.6175	9.387	4	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.9500	0.000	1	110.9500	0.000	1	109.8040	2.627	2	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.6580	0.000	1	108.6580	0.000	1	109.8040	2.627	2	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]3)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]3)(C[6]C[6]HH)(H){1|S<4>,2|O<1>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5]C[5,6]C[6])	106.8950	0.000	1	106.8950	0.000	1	106.8950	0.000	1	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]O)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	110.9185	0.083	2	110.9185	0.007	2	108.4718	4.081	6	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	106.1060	0.000	1	106.1060	0.000	1	108.4718	4.081	6	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]N)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]N)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	107.2270	0.000	1	107.2270	0.000	1	108.4718	4.081	6	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6a]O)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6a]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2C[6])	107.3540	0.000	1	107.3540	0.000	1	108.4718	4.081	6	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2C[6])	108.3070	0.000	1	108.3070	0.000	1	108.4718	4.081	6	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:F-1:F-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(F)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(F)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8450	0.000	1	109.8450	0.000	1	109.8450	0.000	1	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1200	0.000	1	108.1200	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9580	0.000	2	107.9580	0.000	2	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.2240	0.000	1	109.2240	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8430	0.000	1	110.8430	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.8920	0.000	1	110.8920	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.3500	0.000	1	111.3500	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.1120	0.000	1	111.1120	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0530	0.000	1	109.0530	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.4550	0.000	1	110.4550	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.5310	0.000	1	105.5310	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0220	0.000	1	108.4406	2.185	5	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.2580	0.000	1	108.4406	2.185	5	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.3670	0.000	1	108.4406	2.185	5	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7780	0.110	2	108.4406	2.185	5	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9710	0.000	1	108.9710	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.7890	0.000	1	109.7890	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.9850	0.000	1	109.9850	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.8030	0.000	1	107.8030	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1560	0.000	1	109.1095	1.818	2	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0630	0.000	1	109.1095	1.818	2	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0060	0.000	1	108.0060	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.0180	0.000	1	109.0180	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.4870	0.000	1	108.4870	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1610	0.000	1	108.1610	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.1410	0.303	2	108.4673	2.993	8	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9990	0.000	1	108.4673	2.993	8	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8035	0.197	2	108.4673	2.993	8	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6925	2.911	2	108.4673	2.993	8	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4650	0.000	1	108.4673	2.993	8	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|P<4>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9905	1.022	2	108.9905	1.044	2	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]N)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]N)(C[5]O[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7360	0.000	1	111.7360	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6290	0.000	1	107.6290	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6038	0.127	5	109.6038	0.016	5	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4630	0.000	1	107.4630	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6780	0.000	1	107.5782	0.381	4	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8783	0.177	3	107.5782	0.381	4	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.6420	0.000	1	106.6420	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.9620	0.328	2	107.9620	0.108	2	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.1762	0.244	5	107.1668	0.048	6	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.1200	0.000	1	107.1668	0.048	6	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4260	0.240	2	110.4260	0.058	2	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7650	0.000	1	108.7650	0.000	1	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4550	0.000	1	109.6930	0.113	2	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9310	0.000	1	109.6930	0.113	2	108.6869	2.061	62	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5750	0.000	1	109.2817	0.884	3	109.1630	3.234	16	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2300	0.000	1	109.2817	0.884	3	109.1630	3.234	16	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0400	0.000	1	109.2817	0.884	3	109.1630	3.234	16	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8515	0.008	2	109.8515	0.000	2	109.1630	3.234	16	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3780	0.000	1	108.3780	0.000	1	109.1630	3.234	16	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4950	0.000	1	109.4950	0.000	1	109.1630	3.234	16	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0750	0.000	1	110.0750	0.000	1	109.1630	3.234	16	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|Si<4>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0040	0.000	1	110.0040	0.000	1	109.1630	3.234	16	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0010	0.000	1	108.6315	0.273	2	109.1630	3.234	16	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2620	0.000	1	108.6315	0.273	2	109.1630	3.234	16	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{2|H<1>,2|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	103.1040	0.000	1	103.1040	0.000	1	109.1630	3.234	16	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8640	0.000	1	110.8640	0.000	1	109.1630	3.234	16	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8190	0.000	1	110.8190	0.000	1	109.1630	3.234	16	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6600	0.000	1	109.5290	0.034	2	109.1630	3.234	16	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3980	0.000	1	109.5290	0.034	2	109.1630	3.234	16	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6]HH)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6060	2.427	2	109.6060	5.889	2	109.6060	5.889	2	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6540	0.000	1	111.6540	0.000	1	110.0815	4.946	2	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5090	0.000	1	108.5090	0.000	1	110.0815	4.946	2	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.0050	0.000	1	111.0050	0.000	1	111.1460	0.040	2	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)2{1|C<3>,1|S<2>,2|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.2870	0.000	1	111.2870	0.000	1	111.1460	0.040	2	108.7456	3.116	131	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|N<3>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.1265	0.408	2	110.1265	0.166	2	110.1265	0.166	2	109.2720	2.349	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	109.2720	2.349	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.7430	0.000	1	105.7430	0.000	1	107.3743	2.013	3	109.2720	2.349	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.3220	0.000	1	108.3220	0.000	1	107.3743	2.013	3	109.2720	2.349	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OH)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0580	0.000	1	108.0580	0.000	1	107.3743	2.013	3	109.2720	2.349	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2845	0.330	2	110.2845	0.109	2	110.2845	0.109	2	109.2720	2.349	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6a])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8090	0.000	1	108.8090	0.000	1	108.8090	0.000	1	109.2720	2.349	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H){1|S<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){5|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	111.2510	0.000	1	111.2510	0.000	1	110.1220	1.838	4	109.2720	2.349	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5520	0.000	1	110.5520	0.000	1	110.1220	1.838	4	109.2720	2.349	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H){6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5340	0.000	1	110.5340	0.000	1	110.1220	1.838	4	109.2720	2.349	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1510	0.000	1	108.1510	0.000	1	110.1220	1.838	4	109.2720	2.349	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]C)(COO)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]C)(COO)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.2290	0.000	1	108.2290	0.000	1	108.2290	0.000	1	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|C<2>,5|C<3>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|N<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.8010	0.000	1	106.8010	0.000	1	106.8010	0.000	1	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CNO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CNO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.5780	0.000	1	109.5780	0.000	1	108.0724	2.153	5	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5680	0.000	1	106.5680	0.000	1	108.0724	2.153	5	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.6385	1.469	2	108.6385	2.157	2	108.0724	2.153	5	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.9390	0.000	1	106.9390	0.000	1	108.0724	2.153	5	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(COO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5a]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>,3|N<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7480	0.000	1	110.7480	0.000	1	108.4846	1.999	5	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0790	0.000	1	107.0790	0.000	1	108.4846	1.999	5	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9360	0.000	1	107.9360	0.000	1	108.4846	1.999	5	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8540	0.000	1	108.8540	0.000	1	108.4846	1.999	5	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8060	0.000	1	107.8060	0.000	1	108.4846	1.999	5	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){4|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.8040	0.000	1	107.8040	0.000	1	107.8040	0.000	1	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Br<1>,4|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.1650	0.008	2	107.7584	0.173	5	108.9044	1.196	21	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.4873	0.267	3	107.7584	0.173	5	108.9044	1.196	21	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9680	0.000	1	108.9680	0.000	1	108.9044	1.196	21	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6365	0.077	2	109.2822	1.037	15	108.9044	1.196	21	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3815	1.062	13	109.2822	1.037	15	108.9044	1.196	21	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2090	0.000	1	108.0940	0.026	2	108.0940	0.026	2	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9790	0.000	1	108.0940	0.026	2	108.0940	0.026	2	108.5671	1.287	39	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:3:3:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]2C[6])(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]2C[6])(C[5]O[5]CC)(H){3|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]O){1|N<3>,1|O<2>,2|C<4>,5|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.0620	0.000	1	107.0620	0.000	1	107.0620	0.000	1	107.0620	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.6245	0.259	4	107.6245	0.067	4	107.6245	0.067	4	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(H){1|O<1>,1|S<4>,5|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	H(C[5,6]C[5,5]C[5,6]C[6])	106.6760	0.000	1	106.6760	0.000	1	106.6760	0.000	1	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.2745	0.168	4	108.2745	0.028	4	108.4120	0.096	6	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.9770	0.000	1	108.9770	0.000	1	108.4120	0.096	6	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.3970	0.000	1	108.3970	0.000	1	108.4120	0.096	6	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHHS)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHHS)(H){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4670	0.000	1	107.4670	0.000	1	108.7244	0.664	20	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4080	0.431	7	108.4080	0.186	7	108.7244	0.664	20	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.7260	0.000	1	108.7260	0.000	1	108.7244	0.664	20	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.8140	0.327	2	107.8140	0.107	2	108.7244	0.664	20	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]CH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9310	0.000	1	107.9310	0.000	1	108.7244	0.664	20	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1035	0.408	4	109.2260	0.200	5	108.7244	0.664	20	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	109.7160	0.000	1	109.2260	0.200	5	108.7244	0.664	20	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6,6]O)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6,6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3410	0.000	1	109.3410	0.000	1	108.7244	0.664	20	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H){2|C<3>,2|N<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.2040	0.040	2	110.2040	0.002	2	108.7244	0.664	20	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:S-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(SC[6a]OO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H){1|N<3>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2960	0.000	1	108.2960	0.000	1	108.2960	0.000	1	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H){1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4740	0.000	1	110.4740	0.000	1	108.4735	8.004	2	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,2|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4730	0.000	1	106.4730	0.000	1	108.4735	8.004	2	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]O[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2520	0.000	1	111.2520	0.000	1	110.9365	0.199	2	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|O<2>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6210	0.000	1	110.6210	0.000	1	110.9365	0.199	2	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H){4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1350	0.000	1	111.1350	0.000	1	111.1350	0.000	1	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[3]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[3]C[3]2H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[3]C[3]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9240	0.000	1	107.9240	0.000	1	107.9240	0.000	1	108.6397	1.281	38	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,5|C<3>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	107.8955	0.059	2	107.8955	0.003	2	107.8955	0.003	2	108.3873	8.297	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.7160	0.000	1	109.3407	0.599	7	109.3407	0.599	7	108.3873	8.297	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.0050	0.000	1	109.3407	0.599	7	109.3407	0.599	7	108.3873	8.297	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){2|N<3>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.7328	0.137	5	109.3407	0.599	7	109.3407	0.599	7	108.3873	8.297	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	100.2350	0.000	1	100.2350	0.000	1	105.5420	56.328	2	108.3873	8.297	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8490	0.000	1	110.8490	0.000	1	105.5420	56.328	2	108.3873	8.297	11	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)2	H(C[5,6]C[5,3x6]C[5]C[6])	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)(H){1|O<2>,2|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)2{2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,3x6]C[5]C[6])	106.4455	0.158	2	106.4455	0.025	2	106.4455	0.025	2	107.2759	5.579	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CH3)2{3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5960	0.000	1	110.5960	0.000	1	107.4073	10.684	7	107.2759	5.579	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.7740	0.000	1	110.7740	0.000	1	107.4073	10.684	7	107.2759	5.579	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)(CH3){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6590	0.000	1	107.6590	0.000	1	107.4073	10.684	7	107.2759	5.579	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.1770	0.000	1	105.1770	0.000	1	107.4073	10.684	7	107.2759	5.579	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	101.3720	0.000	1	101.3720	0.000	1	107.4073	10.684	7	107.2759	5.579	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1365	0.274	2	108.1365	0.075	2	107.4073	10.684	7	107.2759	5.579	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CH3)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9785	0.272	2	107.9785	0.074	2	107.9785	0.074	2	107.2759	5.579	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.9440	0.192	2	106.9440	0.037	2	106.9440	0.037	2	107.2759	5.579	13	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[3,5,6]C[5,6]C[6])	C[5,6](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|Cl<1>,3|C<4>,8|H<1>}	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[5,6]C[3,5,6]C[5,6]C[6])	105.0770	0.000	1	105.0770	0.000	1	106.2355	2.684	2	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[3,5,6]C[5,6]C[6])	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[5,6]C[3,5,6]C[5,6]C[6])	107.3940	0.000	1	107.3940	0.000	1	106.2355	2.684	2	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[6]O[5]2)(H)2	H(C[5,6]C[3,5]C[5,6]C[6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(H){1|C<1>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[3,5]C[5,6]C[6])	107.2190	0.000	1	107.2190	0.000	1	107.2190	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:N[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(N[5,6]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3,5]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[3,5]N[5,6]C[6])	C[5,6](C[3,5]C[3,5]O[3]H)(N[5,6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[3,5]N[5,6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[3,5]N[5,6]C[6])	112.3518	0.253	6	112.3518	0.064	6	112.3518	0.064	6	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[3x5,6]C[5]C[6])	110.2890	0.000	1	110.2890	0.000	1	110.2890	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[3x5]C[5,6]C[6])	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,6|C<4>,6|H<1>}	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[3x5]C[5,6]C[6])	107.6410	0.091	2	107.6410	0.008	2	107.6410	0.008	2	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,5]C[4,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,5,5]C[4,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[4,5,6]C[5]C[6])	108.8830	0.000	1	108.8830	0.000	1	108.5872	3.060	6	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[4,5,6]C[5]C[6])	108.6140	0.000	1	108.6140	0.000	1	108.5872	3.060	6	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[4,5,6]C[5]C[6])	106.6690	0.000	1	108.5065	5.062	4	108.5872	3.060	6	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2{3|H<1>,5|C<4>}	H(C[5,6]C[4,5,6]C[5]C[6])	109.1190	2.311	3	108.5065	5.062	4	108.5872	3.060	6	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[4x6]HO)(H)2	H(C[5,6]C[5,3x6]C[5]C[6])	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[4x6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,3x6]C[5]C[6])	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	108.8260	0.000	1	109.0870	0.197	5	109.0870	0.197	5	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	109.2825	0.771	2	109.0870	0.197	5	109.0870	0.197	5	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>,4|O<2>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	109.1640	0.000	1	109.0870	0.197	5	109.0870	0.197	5	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){3|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	108.8800	0.000	1	109.0870	0.197	5	109.0870	0.197	5	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[6,6]O[5])(C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[3x5,6]C[6,6]O[5])(C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[5,6]C[5,5,6]2C[6])	105.1910	0.000	1	105.1910	0.000	1	106.5306	1.040	8	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{2|O<2>,6|C<4>}	H(C[5,6]C[5,5,6]2C[6])	106.6090	0.000	1	106.7220	0.871	7	106.5306	1.040	8	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,5,6]2C[6])	107.2500	0.426	2	106.7220	0.871	7	106.5306	1.040	8	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[5,6]C[5,5,6]2C[6])	105.2320	0.000	1	106.7220	0.871	7	106.5306	1.040	8	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,3|C<3>,9|H<1>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]2C[6])	105.7120	0.000	1	106.7220	0.871	7	106.5306	1.040	8	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,9|H<1>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]2C[6])	107.5005	0.153	2	106.7220	0.871	7	106.5306	1.040	8	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[5,6,6]C[6,6]H)(Br)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H){5|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[5,6,6]C[6,6]H)(Br)(H){4|H<1>,7|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	111.3370	0.000	1	111.3370	0.000	1	111.3370	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,6|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	109.7500	0.000	1	109.9006	0.294	5	109.9006	0.294	5	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,6|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	109.9382	0.619	4	109.9006	0.294	5	109.9006	0.294	5	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	105.2990	0.000	1	104.9445	0.059	4	105.6576	2.587	5	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	104.8263	0.072	3	104.9445	0.059	4	105.6576	2.587	5	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	108.5100	0.000	1	108.5100	0.000	1	105.6576	2.587	5	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|N<2>,3|C<4>,3|O<2>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.8175	0.006	2	107.8175	0.000	2	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.3000	0.000	1	107.2850	0.000	2	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.2700	0.000	1	107.2850	0.000	2	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.8540	0.000	1	109.8540	0.000	1	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.0200	0.000	1	108.0200	0.000	1	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.8880	0.000	1	108.8880	0.000	1	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.0964	0.264	5	107.6913	1.576	10	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.5035	1.772	4	107.6913	1.576	10	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.4170	0.000	1	107.6913	1.576	10	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.6710	0.000	2	106.6710	0.000	2	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HS)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HS)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.9690	0.000	1	108.9690	0.000	1	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.3200	0.000	1	108.7810	12.113	2	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.2420	0.000	1	108.7810	12.113	2	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.1290	0.000	1	111.1290	0.000	1	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.5186	0.930	16	108.5186	0.865	16	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.2390	0.000	1	110.2390	0.000	1	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.2390	0.000	1	107.2390	0.000	1	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|I<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.5090	0.000	1	107.5090	0.000	1	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]O[5,6]C[5])(C[5]C[5]ClH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]O[5,6]C[5])(C[5]C[5]ClH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.8630	0.000	1	107.8630	0.000	1	108.2332	1.639	43	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.5798	0.193	5	110.5798	0.037	5	109.8394	2.373	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.4410	0.605	2	110.4410	0.366	2	109.8394	2.373	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,2|N<2>,3|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{4|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.7280	0.000	1	107.7280	0.000	1	109.8394	2.373	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2{1|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.9135	1.456	2	108.9135	2.120	2	109.8394	2.373	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.7810	0.000	1	109.3685	13.390	2	109.8394	2.373	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.9560	0.000	1	109.3685	13.390	2	109.8394	2.373	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(N[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(N[5]C[5]HH)(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	107.7482	0.160	4	107.7482	0.025	4	107.7482	0.025	4	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.7250	0.000	1	108.2664	1.265	5	109.1775	2.170	13	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.2520	0.000	1	108.2664	1.265	5	109.1775	2.170	13	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.7750	0.356	2	108.2664	1.265	5	109.1775	2.170	13	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.8050	0.000	1	108.2664	1.265	5	109.1775	2.170	13	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<2>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.4280	0.000	1	110.4280	0.000	1	109.1775	2.170	13	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.2470	0.000	1	107.2470	0.000	1	109.1775	2.170	13	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.8700	0.000	1	110.8700	0.000	1	109.1775	2.170	13	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.2720	0.000	1	110.2720	0.000	1	109.1775	2.170	13	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	109.3985	2.310	2	109.3985	5.337	2	109.1775	2.170	13	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5]2N[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5]2N[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.3140	0.000	1	110.3140	0.000	1	109.1775	2.170	13	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.0480	0.000	1	110.0480	0.000	1	109.1775	2.170	13	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	108.0680	0.000	1	108.0680	0.000	1	108.5873	1.118	3	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	107.8900	0.000	1	107.8900	0.000	1	108.5873	1.118	3	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	109.8040	0.000	1	109.8040	0.000	1	108.5873	1.118	3	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2{2|H<1>,7|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	106.9380	0.000	1	106.9380	0.000	1	106.9380	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){2|Br<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	107.3320	0.000	1	107.3320	0.000	1	111.1845	1.133	17	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{1|I<1>,1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	111.4253	0.396	16	111.4253	0.157	16	111.1845	1.133	17	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.0040	0.000	1	110.0040	0.000	1	110.0040	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.0910	0.000	1	105.0910	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.5770	0.038	2	109.5770	0.001	2	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.5920	0.000	1	107.5920	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.4688	0.456	4	107.4688	0.208	4	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.5500	0.000	1	110.5500	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|N<3>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.7550	0.000	1	110.7550	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>,4|O<2>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.4740	0.104	4	106.4740	0.011	4	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.2310	0.000	1	108.2310	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.1795	0.146	2	105.1795	0.021	2	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.9255	0.025	2	107.7190	0.072	4	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.5125	0.211	2	107.7190	0.072	4	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]CC)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]CC)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.8635	0.303	2	109.8635	0.092	2	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.2010	0.175	5	110.2010	0.031	5	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.1360	0.000	1	109.1360	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.6580	0.000	1	106.6580	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.7950	0.000	1	107.7950	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.9170	0.933	2	108.9170	0.871	2	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.6620	1.605	2	105.6620	2.576	2	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.6600	0.000	1	110.6600	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.2290	0.000	1	107.2290	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.8140	0.000	1	109.4516	5.687	5	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.2550	0.000	1	109.4516	5.687	5	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.8350	0.000	1	109.4516	5.687	5	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.6770	0.361	2	109.4516	5.687	5	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.9470	0.000	1	107.9470	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.6270	0.000	1	106.6270	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.6600	0.000	1	108.6600	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.0870	0.000	1	110.0870	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.8280	0.000	1	105.8280	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.5860	0.000	1	108.5860	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.0760	0.000	1	109.0760	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[5,6,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.3040	0.000	1	107.3040	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.3880	0.000	1	107.3880	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.3510	0.000	1	106.3510	0.000	1	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.5343	1.670	3	107.5343	2.788	3	108.1357	3.121	55	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.1860	0.338	2	106.1860	0.114	2	106.1860	0.114	2	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H){3|C<3>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]N[5])	108.7650	0.000	1	108.7650	0.000	1	108.7650	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:B[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]P[5]H)(B[5]C[6a]2N[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]B[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]B[5]C[6])	C[5,6](C[5,6]C[6]P[5]H)(B[5]C[6a]2N[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]B[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]B[5]C[6])	107.3515	0.370	4	107.3515	0.137	4	107.3515	0.137	4	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	110.8560	0.000	1	110.8560	0.000	1	110.8560	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[5,6]H)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[5,6]C[5,6]2C[6])	106.2610	0.000	1	106.2610	0.000	1	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	106.0660	0.000	1	106.0660	0.000	1	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,9|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5,6]C[5,6]2C[6])	103.5705	1.163	2	103.5705	1.353	2	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	112.6330	0.000	1	112.6330	0.000	1	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	108.1010	0.000	1	108.1010	0.000	1	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|Cr<9>,1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	108.8075	3.451	2	108.8075	11.912	2	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	110.9677	0.281	3	110.9677	0.079	3	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	107.9010	0.000	1	108.9067	0.597	6	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	109.3658	0.383	4	108.9067	0.597	6	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	108.0760	0.000	1	108.9067	0.597	6	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	109.7030	0.000	1	109.0538	0.302	4	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	109.3080	0.000	1	109.0538	0.302	4	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	108.6020	0.103	2	109.0538	0.302	4	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	107.6090	0.000	1	107.6090	0.000	1	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	107.2800	0.000	1	107.2800	0.000	1	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	109.2800	0.000	1	109.2800	0.000	1	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	109.1980	0.401	3	109.1980	0.161	3	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	108.0830	0.000	1	108.0830	0.000	1	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	107.3545	0.046	2	107.3545	0.002	2	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	110.6940	0.158	2	110.6940	0.025	2	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	110.5390	0.000	1	110.5390	0.000	1	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){2|S<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	109.5948	0.274	4	109.5948	0.075	4	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	110.6195	0.185	2	110.6195	0.034	2	108.8840	3.798	39	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|N<3>,2|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.9160	0.000	1	105.9160	0.000	1	105.9160	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1800	0.000	1	111.1800	0.000	1	111.3930	0.034	3	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5180	0.000	1	111.4995	0.001	2	111.3930	0.034	3	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4810	0.000	1	111.4995	0.001	2	111.3930	0.034	3	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.8920	0.000	1	110.8920	0.000	1	109.1027	2.402	3	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2080	0.023	2	108.2080	0.001	2	109.1027	2.402	3	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7940	0.000	1	107.7940	0.000	1	107.7940	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:F-1:F-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|N<2>,1|N<3>,1|O<1>,2|F<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9080	0.000	1	106.9080	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5,5]C)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6]C[5,5]C)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.2440	0.000	1	107.2440	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9827	0.119	3	110.9827	0.014	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7540	0.000	1	110.7540	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8395	2.241	2	108.8395	5.021	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4540	0.000	1	109.4540	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1000	0.000	1	111.1000	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.5350	0.000	1	109.5350	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6170	0.000	1	110.6170	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3430	0.269	2	111.3430	0.072	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.2080	0.000	1	105.2080	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4240	0.000	1	108.4240	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2020	0.000	1	108.2020	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.8790	0.000	1	107.8790	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.2210	0.000	1	108.2210	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0540	0.000	1	107.0540	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4120	0.000	1	109.4120	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0180	0.000	1	109.0180	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	105.4350	0.000	1	105.4817	0.070	10	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.5701	0.249	7	105.4817	0.070	10	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.1955	0.189	2	105.4817	0.070	10	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	105.6140	0.000	1	105.6140	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0570	0.000	1	106.0570	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9893	0.460	3	110.9893	0.211	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7035	0.436	2	110.9850	0.333	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5480	0.000	1	110.9850	0.333	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.8905	0.191	4	110.8905	0.037	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]OO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]OO)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	111.4020	0.068	2	111.4020	0.005	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.8593	0.114	3	110.8593	0.013	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.1770	0.000	1	111.1770	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5190	0.081	2	110.5190	0.006	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.1950	0.000	1	110.1950	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]2C)(C[5]C[5,5,6]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]2C)(C[5]C[5,5,6]HO)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.6090	0.000	1	106.6090	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]BrH)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]BrH)(C[5]N[5]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4880	0.000	1	111.4880	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6710	0.000	1	110.6710	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3400	0.000	1	111.3400	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9020	0.000	1	110.9020	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6280	0.000	1	108.6280	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0120	0.204	2	107.0120	0.041	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4030	0.000	1	109.4030	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.5510	0.049	2	105.5510	0.002	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.1730	0.000	1	105.1730	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1590	0.000	1	107.1590	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3440	0.000	1	110.3440	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4835	0.655	2	107.4835	0.430	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6632	0.328	5	110.6632	0.108	5	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	115.0360	0.000	1	115.0360	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6750	0.231	2	110.6750	0.053	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4960	0.000	1	111.4960	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0150	0.000	1	111.0150	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3820	0.000	1	111.3820	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.3470	0.000	1	110.3470	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9410	0.000	1	110.9381	0.036	12	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9160	0.183	5	110.9381	0.036	12	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9795	0.274	2	110.9381	0.036	12	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9442	0.249	4	110.9381	0.036	12	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.4720	0.000	1	111.4720	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2600	0.000	1	111.2600	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5960	0.000	1	109.5960	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.3340	0.000	1	108.3340	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8872	1.089	4	106.8872	1.185	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1320	1.253	4	108.1320	1.570	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4670	0.000	1	110.4670	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.2570	0.000	1	106.2570	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.8790	0.000	1	107.8790	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]O)(H)2{1|C<3>,2|H<1>,8|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.1620	0.520	2	105.1620	0.271	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.6220	0.201	2	106.5065	1.063	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.3910	0.141	2	106.5065	1.063	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9310	0.375	2	106.9310	0.140	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.2110	0.000	1	108.1355	6.030	8	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8160	0.000	1	108.1355	6.030	8	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7030	0.000	1	108.1355	6.030	8	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.1010	5.472	2	108.1355	6.030	8	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7680	0.000	1	108.1355	6.030	8	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6920	0.148	2	108.1355	6.030	8	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0360	0.160	2	110.0980	1.791	5	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3090	0.100	2	110.0980	1.791	5	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8000	0.000	1	110.0980	1.791	5	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4820	0.000	1	107.4033	0.005	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3640	0.010	2	107.4033	0.005	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.0450	0.000	1	110.0450	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|Si<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.0010	0.000	1	108.0010	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0835	0.965	2	109.0835	0.932	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6860	0.000	1	110.6860	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8850	0.000	1	109.8850	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0190	0.000	1	110.1500	0.034	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2810	0.000	1	110.1500	0.034	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.7793	0.217	3	108.7793	0.047	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9070	0.000	1	108.9070	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4640	0.000	1	108.3170	1.043	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.6530	0.000	1	108.3170	1.043	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7120	0.000	1	108.3170	1.043	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4390	0.000	1	108.3170	1.043	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.0930	0.000	1	108.0930	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8430	0.000	1	108.7770	1.745	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7110	0.000	1	108.7770	1.745	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0620	0.000	1	108.8802	1.084	11	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2430	0.038	3	108.8802	1.084	11	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3730	0.000	1	108.8802	1.084	11	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8855	1.471	2	108.8802	1.084	11	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3475	0.224	2	108.8802	1.084	11	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8070	0.000	1	108.8802	1.084	11	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2450	0.000	1	108.8802	1.084	11	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4400	0.000	1	107.4400	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8250	0.000	1	110.8250	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2000	0.000	1	110.2000	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4005	1.757	2	109.4005	3.088	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3910	0.000	1	106.8637	1.508	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.4600	0.000	1	106.8637	1.508	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7400	0.000	1	106.8637	1.508	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[3]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[3]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8080	0.000	1	110.8080	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3800	0.000	1	108.3800	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8177	1.201	7	108.8177	1.443	7	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6205	0.370	2	108.6205	0.137	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3910	0.000	1	107.3910	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.7610	0.368	2	106.7610	0.135	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.7740	0.000	1	104.7740	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.8290	0.175	6	106.7066	0.076	11	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.5598	0.320	5	106.7066	0.076	11	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.4230	0.000	1	104.4230	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.7170	0.000	1	105.7355	0.632	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.2045	0.404	2	105.7355	0.632	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.8160	0.000	1	105.7355	0.632	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.6170	0.000	1	105.6110	8.048	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	103.6050	0.000	1	105.6110	8.048	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.4660	0.215	2	106.4089	0.591	8	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.3460	0.075	2	106.4089	0.591	8	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.9117	0.655	4	106.4089	0.591	8	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.2600	0.000	1	105.2600	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9940	0.000	1	108.1330	0.039	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.2720	0.000	1	108.1330	0.039	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0600	0.000	1	108.0600	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8590	0.000	1	109.4963	3.501	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2670	0.000	1	109.4963	3.501	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3630	0.000	1	109.4963	3.501	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6060	0.000	1	109.5250	7.365	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4440	0.000	1	109.5250	7.365	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7357	0.455	3	107.7357	0.207	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.6050	2.544	3	107.2032	4.959	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.9980	0.000	1	107.2032	4.959	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.0565	0.381	2	107.0565	0.145	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.6820	0.515	2	108.4099	1.206	15	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.3067	1.255	6	108.4099	1.206	15	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.9172	0.308	6	108.4099	1.206	15	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.4420	0.000	1	108.4099	1.206	15	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SeC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SeC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|Se<2>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.7520	0.000	1	106.7520	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7200	0.000	1	107.7200	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.7390	0.000	1	106.7390	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.3570	0.000	1	106.3570	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.7260	0.000	1	107.8445	0.028	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.9630	0.000	1	107.8445	0.028	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.9540	0.000	1	109.9540	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.8730	0.000	1	108.8730	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.5443	0.567	4	106.5443	0.322	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.2800	0.000	1	110.2800	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3013	0.243	3	110.3013	0.059	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.3970	0.086	2	108.3970	0.007	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7640	0.000	1	109.7640	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	H(C[5,6]C[5,6]C[5]C[6])	111.5850	0.000	1	111.5850	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|O<1>,1|W<7>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|W<7>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.3890	2.748	2	109.3890	7.550	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6930	0.000	1	107.0470	0.251	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4010	0.000	1	107.0470	0.251	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|N<3>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|N<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.5450	0.000	1	107.5450	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7330	0.000	1	106.7330	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|W<7>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,1|W<7>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9690	0.000	1	108.9690	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9800	0.000	1	108.6613	2.394	16	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3400	0.000	1	108.6613	2.394	16	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9860	0.000	1	108.6613	2.394	16	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.5470	0.000	1	108.6613	2.394	16	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2930	0.000	1	108.6613	2.394	16	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8960	0.000	1	108.6613	2.394	16	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0490	0.000	1	108.6613	2.394	16	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8252	0.105	5	108.6613	2.394	16	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Os<6>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6370	0.000	1	108.6613	2.394	16	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6845	1.572	2	108.6613	2.394	16	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3580	0.000	1	108.6613	2.394	16	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4470	0.000	1	109.4470	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8490	0.000	1	109.8490	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4100	0.000	1	110.4100	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9840	0.000	1	107.9840	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0780	0.000	1	108.0780	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.2980	0.000	1	110.2980	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.3930	0.000	1	109.3930	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]PtH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|Pt<4>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]PtH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.7430	0.000	1	107.7430	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4910	0.000	1	107.4910	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4750	0.000	1	110.6877	0.110	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0690	0.000	1	110.6877	0.110	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5190	0.000	1	110.6877	0.110	3	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3430	0.000	1	110.3430	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H){1|C<4>,1|I<1>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5255	0.025	2	110.5255	0.001	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.2530	0.000	1	107.2530	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,1|P<4>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2770	0.000	1	107.2770	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4620	0.000	1	108.4620	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4010	0.000	1	108.7420	1.996	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1890	1.340	3	108.7420	1.996	4	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8875	0.005	2	107.8875	0.000	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6640	0.000	1	108.6640	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4530	0.000	1	107.4530	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1072	0.672	4	107.9685	0.217	8	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8297	0.061	4	107.9685	0.217	8	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[6,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[6,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6100	0.117	2	106.6100	0.014	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)(H)2{1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1970	1.585	2	109.1970	2.513	2	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9220	0.000	1	109.9220	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4420	0.000	1	106.4420	0.000	1	108.5264	3.690	327	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5,5]C[5]3)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5,5]C[5]3)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,5|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H){2|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.0140	0.000	1	106.0140	0.000	1	106.0140	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	C[6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4590	0.000	1	109.4590	0.000	1	108.4140	2.184	2	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	C[6](C[4,6]C[4]C[6]O[4])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4]C[6]O[4])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3690	0.000	1	107.3690	0.000	1	108.4140	2.184	2	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.8260	0.000	1	106.8260	0.000	1	105.8995	1.717	2	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.9730	0.000	1	104.9730	0.000	1	105.8995	1.717	2	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H)	C[6](C[5,6]O[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5010	0.260	2	107.5010	0.068	2	107.6637	3.536	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0300	0.000	1	111.0300	0.000	1	107.6637	3.536	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.6200	0.000	1	110.6200	0.000	1	107.6637	3.536	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.8720	0.000	1	106.8720	0.000	1	107.6637	3.536	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.0050	0.000	1	105.3980	0.737	2	107.6637	3.536	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.7910	0.000	1	105.3980	0.737	2	107.6637	3.536	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.5160	0.000	1	106.5160	0.000	1	107.6637	3.536	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,2|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3160	0.000	1	107.3160	0.000	1	107.6637	3.536	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2{1|N<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1950	0.000	1	109.1950	0.000	1	107.6637	3.536	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0770	0.000	1	106.0770	0.000	1	107.6637	3.536	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<3>,1|C<4>,2|H<1>,4|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5410	0.000	1	108.5410	0.000	1	107.6637	3.536	12	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]O[6]H)(H)2{1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.8590	0.000	1	110.8590	0.000	1	108.0395	3.345	11	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2H)(H)2{4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.1790	0.000	1	106.1790	0.000	1	108.0395	3.345	11	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9423	0.867	6	106.9423	0.751	6	108.0395	3.345	11	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.5430	0.000	1	109.5430	0.000	1	108.0395	3.345	11	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.1000	0.556	2	110.1000	0.309	2	108.0395	3.345	11	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(C[5]C[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0750	0.000	1	106.0750	0.000	1	106.0750	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0290	0.000	1	106.0290	0.000	1	107.0015	1.892	2	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9740	0.000	1	107.9740	0.000	1	107.0015	1.892	2	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2400	0.000	1	111.2400	0.000	1	111.2400	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<2>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.3490	0.048	3	110.6066	0.128	5	109.1761	6.304	7	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9930	0.092	2	110.6066	0.128	5	109.1761	6.304	7	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[6,6]C[6,6a]C[6]2)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4680	0.000	1	106.4680	0.000	1	109.1761	6.304	7	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.7320	0.000	1	104.7320	0.000	1	109.1761	6.304	7	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]C[5]CH)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.3510	0.000	1	108.3510	0.000	1	108.8367	1.123	3	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H){1|C<3>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.0520	0.000	1	110.0520	0.000	1	108.8367	1.123	3	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.1070	0.000	1	108.1070	0.000	1	108.8367	1.123	3	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H){1|C<3>,1|N<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.8640	0.000	1	110.8640	0.000	1	110.8640	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(N[5]In[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]N[5,6]C[6]H)(N[5]In[5,6]CC)(C[6]C[6]HH)(H){2|Cl<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	106.0785	0.155	2	106.0785	0.024	2	106.0785	0.024	2	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:P[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]B[5]C[6]H)(P[5]C[6a]2N[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[6]P[5])	C[5,6](C[5,6]B[5]C[6]H)(P[5]C[6a]2N[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]P[5])	107.9973	0.258	4	107.9973	0.066	4	107.9973	0.066	4	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[3x5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[3x5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]N[3x5]C[6])	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,2|N<3>,2|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]N[3x5]H)(C[6]C[6]HH)(H)2{1|Ga<6>,1|N<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[3x5]C[6])	107.2980	0.000	1	107.2980	0.000	1	107.2980	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]N[5,5,6]C[5]C[6])	C[5,6](N[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[5,6]N[5,5,6]C[5]C[6])	107.5007	2.915	23	107.5007	8.495	23	107.5007	8.495	23	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]In[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]In[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){2|Cl<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<4>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.6830	0.187	2	108.6830	0.035	2	108.6830	0.035	2	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.2305	0.012	2	110.2305	0.000	2	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.2325	0.062	2	109.2325	0.004	2	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.7475	0.095	2	110.7475	0.009	2	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.3935	0.445	2	111.0581	0.217	9	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.0380	0.391	4	111.0581	0.217	9	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.8613	0.608	3	111.0581	0.217	9	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(H)2{3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.9930	0.000	1	110.9930	0.000	1	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.8080	0.059	3	110.8080	0.003	3	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.2650	0.000	1	111.2650	0.000	1	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.3480	0.000	1	111.3480	0.000	1	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8600	0.000	1	109.8600	0.000	1	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.1530	0.000	1	108.1020	0.005	2	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.0510	0.000	1	108.1020	0.005	2	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1510	0.000	1	109.1510	0.000	1	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7720	0.000	1	109.7720	0.000	1	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8010	0.000	1	108.8010	0.000	1	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.3790	0.546	2	107.3790	0.298	2	110.1559	1.549	29	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.3590	0.000	1	110.3590	0.000	1	110.3590	0.000	1	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	111.3225	0.359	2	111.3225	0.129	2	111.3225	0.129	2	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](P[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]P[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]P[5,6]C[5]C[6])	C[5,6](P[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[6](C[5,6]P[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|S<1>,3|C<4>,4|H<1>}	H(C[5,6]P[5,6]C[5]C[6])	107.9790	0.721	2	107.9790	0.520	2	107.9790	0.520	2	108.6059	3.899	687	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	H(C[5,6]C[5,3x6]C[5]C[6])	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,3x6]C[5]C[6])	106.7510	0.000	1	106.7510	0.000	1	106.7510	0.000	1	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.1730	0.000	1	110.1730	0.000	1	109.5935	0.672	2	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	109.0140	0.000	1	109.0140	0.000	1	109.5935	0.672	2	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,6|C<4>}	H(C[5,6]C[5,6]2C[6])	106.0300	0.122	2	106.0300	0.015	2	107.3135	2.268	6	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){3|C<4>,9|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	108.5830	0.909	3	108.5830	0.826	3	107.3135	2.268	6	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]S)(C[5,6]C[5]S[6]2)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5]C[6]S)(C[5,6]C[5]S[6]2)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>,2|S<2>}	H(C[5,6]C[5,6]2C[6])	106.0720	0.000	1	106.0720	0.000	1	107.3135	2.268	6	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]2H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H){1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]2H)(O[6]C[6])(H){1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8240	0.000	1	107.8240	0.000	1	107.6970	0.032	2	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H){1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]HH)(O[6]C[6])(H){1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5700	0.000	1	107.5700	0.000	1	107.6970	0.032	2	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.1870	0.000	1	106.1870	0.000	1	107.6723	3.205	3	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H){1|C<4>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|N<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.4150	1.761	2	108.4150	3.100	2	107.6723	3.205	3	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4800	0.000	1	107.4800	0.000	1	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9490	0.000	1	110.9353	0.009	3	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9285	0.136	2	110.9353	0.009	3	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5730	0.000	1	110.7525	0.031	6	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7884	0.172	5	110.7525	0.031	6	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.5126	0.381	7	111.5126	0.145	7	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9447	0.131	3	110.9447	0.017	3	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4940	1.105	2	108.4940	1.220	2	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H){4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.4760	0.000	1	106.4760	0.000	1	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0730	0.000	1	106.0730	0.000	1	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9110	0.000	1	107.9110	0.000	1	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1610	0.000	1	107.1610	0.000	1	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9980	0.000	1	108.9980	0.000	1	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3450	1.338	2	108.3450	1.790	2	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5910	0.000	1	106.5910	0.000	1	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3265	0.124	2	108.3265	0.015	2	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.5520	0.006	2	106.5520	0.000	2	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.9606	0.263	12	106.9606	0.069	12	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.0660	0.000	1	107.3920	0.213	2	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.7180	0.000	1	107.3920	0.213	2	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.1280	0.399	5	107.1280	0.159	5	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.3305	0.276	2	108.3305	0.076	2	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6405	0.026	2	108.6405	0.001	2	108.6449	3.562	57	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6260	0.000	1	110.6260	0.000	1	110.6260	0.000	1	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.7665	0.708	2	108.7665	0.501	2	107.7399	6.446	7	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H){4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.3593	1.730	3	105.3593	2.992	3	107.7399	6.446	7	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.5450	0.000	1	110.5450	0.000	1	107.7399	6.446	7	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0230	0.000	1	110.0230	0.000	1	107.7399	6.446	7	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,5|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	107.8440	0.000	1	107.8440	0.000	1	108.2047	0.098	3	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.3850	0.000	2	108.3850	0.000	2	108.2047	0.098	3	108.4440	3.444	84	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0100	0.000	1	110.0100	0.000	1	110.0100	0.000	1	110.0100	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6]HN)(H)	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H)	H(C[5,6]C[3,5,6]C[5,5,6]C[6])	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6]HN)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[3,5,6]C[5,5,6]C[6])	107.1150	0.000	1	107.1150	0.000	1	107.1150	0.000	1	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(COO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.1550	0.000	1	108.1550	0.000	1	108.1550	0.000	1	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	103.5710	0.000	1	103.5710	0.000	1	103.5710	0.000	1	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(COO)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.7220	0.157	2	109.7220	0.025	2	109.7220	0.025	2	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]CH)(C[5]O[5]HO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]O[6]H)(COO)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]CH)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]O[6]H)(COO)(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.5030	0.000	1	107.5030	0.000	1	107.5030	0.000	1	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(CC[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(CC[5]O)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6782	0.394	4	106.6782	0.155	4	106.6782	0.155	4	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CC[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8110	0.000	1	106.8110	0.000	1	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.6390	0.000	1	105.0550	0.346	2	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.4710	0.000	1	105.0550	0.346	2	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.5950	0.000	1	105.5950	0.000	1	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8910	0.068	2	107.8910	0.005	2	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3215	1.760	2	109.3215	3.098	2	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1255	0.045	2	108.1255	0.002	2	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1670	0.000	1	108.1670	0.000	1	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(CHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(CHO)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.2190	0.000	1	109.2190	0.000	1	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5500	0.000	1	109.5500	0.000	1	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.0100	0.000	1	108.0100	0.000	1	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8445	0.766	2	107.8445	0.586	2	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.1300	0.000	1	110.2190	0.016	2	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3080	0.000	1	110.2190	0.016	2	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0020	0.438	2	108.0020	0.192	2	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHN)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHN)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7130	0.000	1	106.7130	0.000	1	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|Br<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0740	0.000	1	109.0740	0.000	1	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	110.6590	0.000	1	110.6590	0.000	1	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0435	0.506	2	108.0435	0.256	2	108.1121	2.332	25	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H){2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.7410	0.000	1	108.7410	0.000	1	107.7000	2.167	2	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.6590	0.000	1	106.6590	0.000	1	107.7000	2.167	2	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]C[5]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]C[5]H)(COO)(H){1|O<1>,2|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0040	0.000	1	110.0040	0.000	1	110.0040	0.000	1	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C[6]H)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C[6]H)(C[5]O[5]CC)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H){1|C<3>,3|O<2>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.8610	0.000	1	107.8610	0.000	1	107.8610	0.000	1	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4400	0.000	1	107.4400	0.000	1	106.2447	1.081	3	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(C[6a]C[6a]2)(H){2|O<2>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.6470	0.137	2	105.6470	0.019	2	106.2447	1.081	3	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.3305	1.189	2	111.4511	0.974	7	111.4161	0.845	8	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|I<1>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	113.3550	0.000	1	111.4511	0.974	7	111.4161	0.845	8	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.0355	0.170	4	111.4511	0.974	7	111.4161	0.845	8	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(COO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(COO)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.1710	0.000	1	111.1710	0.000	1	111.4161	0.845	8	108.3726	4.092	50	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH){2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	112.1050	0.000	1	112.1050	0.000	1	112.1050	0.000	1	106.8462	4.695	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	106.8462	4.695	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.8671	0.210	8	105.8671	0.044	8	105.8671	0.044	8	106.8462	4.695	10	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3020	0.000	1	108.3020	0.000	1	108.3020	0.000	1	108.3020	0.000	1	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[6]-4:C[5,6]-4:H-1:	C[4,5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[6a]O[3])(C[6]C[4,5,6,6]CH)(C[5,6]C[5,6]HH)(H)	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[3,5]C[5,6]H)(CHOO)(H)	H(C[5,6]C[3,5]C[5,6]C[6])	C[5,6](C[3,5]C[3,5]C[6a]O[3])(C[6]C[4,5,6,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[3,5]C[5,6]H)(CHOO)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6])	111.0790	0.000	1	111.0790	0.000	1	111.0790	0.000	1	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]O[6,6]C[6])(C[5,6]C[6]O[5]C)(C[6]C[6]2H)(H)	C[6](C[5,6]C[5,3x6]C[5,6]H)(C[6]C[6]HH)2(H)	H(C[5,6]C[5,3x6]C[5,6]C[6])	C[5,6](C[5,3x6]C[5,3x6]O[6,6]C[6])(C[5,6]C[6]O[5]C)(C[6]C[6]2H)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]C[5,6]H)(C[6]C[6]HH)2(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,6]C[6])	107.4610	0.000	1	107.4610	0.000	1	107.4610	0.000	1	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.5860	0.000	1	111.5860	0.000	1	108.6190	7.511	3	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.1820	0.000	1	106.1820	0.000	1	108.6190	7.511	3	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.0890	0.000	1	108.0890	0.000	1	108.6190	7.511	3	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	109.4340	0.000	1	109.4340	0.000	1	108.2737	1.175	3	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,7|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	108.1000	0.000	1	108.1000	0.000	1	108.2737	1.175	3	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(CCHH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.2870	0.000	1	107.2870	0.000	1	108.2737	1.175	3	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.3685	0.572	2	108.3685	0.327	2	109.3056	2.254	5	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2030	1.608	2	109.9303	2.880	3	109.3056	2.254	5	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.3850	0.000	1	109.9303	2.880	3	109.3056	2.254	5	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.8075	0.060	2	109.8075	0.004	2	109.8075	0.004	2	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H)	C[6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5,6]2H)(CCHH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5,6]2H)(CCHH)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	107.8540	0.000	1	107.8540	0.000	1	107.8540	0.000	1	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HO)(CH3)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	107.9870	0.000	1	107.9870	0.000	1	107.2081	0.676	7	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	106.4720	0.000	1	106.8055	0.222	2	107.2081	0.676	7	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	107.1390	0.000	1	106.8055	0.222	2	107.2081	0.676	7	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	106.5400	0.000	1	106.3730	0.056	2	107.2081	0.676	7	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|N<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	106.2060	0.000	1	106.3730	0.056	2	107.2081	0.676	7	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	108.1320	0.000	1	108.0565	0.011	2	107.2081	0.676	7	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	107.9810	0.000	1	108.0565	0.011	2	107.2081	0.676	7	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(Cl)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(Cl){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.9935	0.524	2	106.9935	0.275	2	106.9935	0.275	2	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1460	0.000	1	107.1460	0.000	1	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7510	0.000	1	106.7510	0.000	1	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]CH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.3300	0.000	1	111.3300	0.000	1	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.0680	0.587	2	105.4257	0.556	3	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.1410	0.000	1	105.4257	0.556	3	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.0203	0.784	4	106.0203	0.615	4	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]2O[5])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]2O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0690	0.000	1	111.0690	0.000	1	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7930	0.000	1	107.7930	0.000	1	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6470	0.000	1	107.6470	0.000	1	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCCH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3580	0.000	1	107.3580	0.000	1	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6020	0.000	1	107.6020	0.000	1	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6060	0.000	1	108.6060	0.000	1	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8550	0.000	1	108.4975	0.826	2	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1400	0.000	1	108.4975	0.826	2	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4650	1.038	2	109.5720	1.025	7	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7505	0.518	2	109.5720	1.025	7	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3690	0.000	1	109.5720	1.025	7	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8530	0.000	1	109.5720	1.025	7	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3510	0.000	1	109.5720	1.025	7	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3110	0.000	1	107.3110	0.000	1	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4200	0.000	1	108.4200	0.000	1	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6525	0.233	2	109.6525	0.054	2	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CC[6]CO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CC[6]CO)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.2010	0.000	1	106.2010	0.000	1	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]CC)(C[6]C[6]CH)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.2150	0.000	2	107.2150	0.000	2	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	106.9750	0.000	1	107.2410	0.142	2	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.5070	0.000	1	107.2410	0.142	2	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7915	0.504	2	107.7915	0.254	2	107.9275	2.836	36	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.7757	0.126	3	105.7757	0.016	3	106.3432	1.299	4	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0460	0.000	1	108.0460	0.000	1	106.3432	1.299	4	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:S-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0930	0.000	1	111.0930	0.000	1	111.0930	0.000	1	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(H){2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(CH3)(H){3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.4740	0.000	1	108.4782	0.042	5	108.4782	0.042	5	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4587	0.286	3	108.4782	0.042	5	108.4782	0.042	5	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5410	0.000	1	108.4782	0.042	5	108.4782	0.042	5	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(H){1|C<3>,3|C<4>,3|H<1>,4|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3290	0.000	1	108.3290	0.000	1	108.3290	0.000	1	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[3x4]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[3x4]C[4,4]3)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H){1|S<4>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[3x4]C[4,4]3)(C[6]C[6]HH)(H){11|H<1>,1|N<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.0270	0.000	1	109.0270	0.000	1	109.0270	0.000	1	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]N[6,6]C[6]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]N[6,6]C[6]H)(CH3)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7930	0.000	2	109.7930	0.000	2	109.7930	0.000	2	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C-4:Br-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(CH3)(Br)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(CH3)(Br){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.1730	0.000	1	106.1730	0.000	1	106.1730	0.000	1	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.2110	0.000	1	108.2110	0.000	1	108.2110	0.000	1	108.1047	2.592	78	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]O[5]CH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	107.7636	4.521	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	107.7636	4.521	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.8960	0.000	1	107.8960	0.000	1	107.4207	0.212	3	107.7636	4.521	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,9|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.1830	0.293	2	107.1830	0.086	2	107.4207	0.212	3	107.7636	4.521	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0000	0.000	1	110.0000	0.000	1	107.9058	7.061	10	107.7636	4.521	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.2620	0.000	1	106.2620	0.000	1	107.9058	7.061	10	107.7636	4.521	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH){2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8470	0.000	1	110.8470	0.000	1	107.9058	7.061	10	107.7636	4.521	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9300	0.000	1	110.9300	0.000	1	107.9058	7.061	10	107.7636	4.521	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4940	0.000	1	111.4940	0.000	1	107.9058	7.061	10	107.7636	4.521	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH){1|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.5125	0.011	2	105.5125	0.000	2	107.9058	7.061	10	107.7636	4.521	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.2510	0.000	1	106.2510	0.000	1	107.9058	7.061	10	107.7636	4.521	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.5050	0.000	1	104.5050	0.000	1	107.9058	7.061	10	107.7636	4.521	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7440	0.000	1	107.7440	0.000	1	107.9058	7.061	10	107.7636	4.521	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.3290	0.000	1	106.3290	0.000	1	106.3290	0.000	1	107.7636	4.521	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.5460	0.000	1	106.5460	0.000	1	106.5460	0.000	1	107.7636	4.521	17	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CC)(H){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	105.7070	0.000	1	105.7070	0.000	1	105.7070	0.000	1	103.5973	5.200	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(CHO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(CHO){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.9860	0.000	1	105.9860	0.000	1	103.1754	5.165	5	103.5973	5.200	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	102.9840	0.000	1	102.9840	0.000	1	103.1754	5.165	5	103.5973	5.200	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.6380	0.000	1	103.4170	2.982	2	103.1754	5.165	5	103.5973	5.200	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	102.1960	0.000	1	103.4170	2.982	2	103.1754	5.165	5	103.5973	5.200	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	100.0730	0.000	1	100.0730	0.000	1	103.1754	5.165	5	103.5973	5.200	6	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	103.5590	0.000	1	103.5590	0.000	1	105.6880	9.065	2	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CO)(CH3)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.8170	0.000	1	107.8170	0.000	1	105.6880	9.065	2	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.6775	0.275	2	108.4543	0.092	4	108.5616	0.152	8	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.2310	0.023	2	108.4543	0.092	4	108.5616	0.152	8	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.5865	0.334	2	108.5865	0.112	2	108.5616	0.152	8	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2780	0.000	1	109.2780	0.000	1	108.5616	0.152	8	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.2250	0.000	1	108.2250	0.000	1	108.5616	0.152	8	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H){1|F<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2{3|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	104.2295	0.506	2	104.2295	0.256	2	104.2295	0.256	2	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.2500	0.369	2	108.0976	0.099	5	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.9960	0.301	3	108.0976	0.099	5	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.5680	0.000	1	104.5680	0.000	1	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.8740	0.000	1	108.8740	0.000	1	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	103.1670	0.894	2	103.1670	0.799	2	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.5930	0.000	1	104.4453	0.049	3	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.3715	0.255	2	104.4453	0.049	3	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	101.6820	0.000	1	101.6820	0.000	1	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	103.3830	0.000	1	103.3830	0.000	1	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	103.7040	0.000	1	104.3563	0.325	3	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.6825	0.110	2	104.3563	0.325	3	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.0005	0.163	2	107.0005	0.027	2	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.0540	0.000	1	108.0540	0.000	1	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	103.9530	0.000	1	104.1175	0.054	2	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.2820	0.000	1	104.1175	0.054	2	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<2>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.0000	0.000	1	104.0000	0.000	1	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9260	0.000	1	107.9260	0.000	1	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)(CH3)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.6500	0.049	2	108.6500	0.002	2	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]B[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]B[5]HH)(C[6]C[6]CC)(H){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(CH3)2{1|B<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.0770	0.000	1	104.0770	0.000	1	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(CH3){1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8020	0.000	1	108.8020	0.000	1	105.8618	5.086	28	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:P-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CP)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CP)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9785	0.043	2	109.9785	0.002	2	109.9785	0.002	2	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(C[5]C[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(C[5]C[5]CC)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(CH3){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.5660	0.000	1	104.5660	0.000	1	104.5660	0.000	1	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	106.7510	0.000	1	106.7510	0.000	1	106.7510	0.000	1	106.4484	5.410	44	108.9808	4.733	4366	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[3x6]	H	4:2:2:1:	3:3:4:4:	4:	C[3x6]-4:O[5]-2:O[5]-2:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[5]-4:	C[5]-4:	C[5](C[3x6]C[6,6,6a]2C[3x6])(O[5]C[5])2(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[5]O[5]2H)	H(C[5]C[3x6]O[5]2)	C[5](C[3x6]C[6,6,6a]2C[3x6])(O[5]C[5])2(H){1|C<4>,5|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[5]O[5]2H){1|O<1>,3|C<4>,3|H<1>,6|C<3>}	H(C[5]C[3x6]O[5]2)	109.5555	0.409	2	109.5555	0.168	2	109.5555	0.168	2	109.5555	0.168	2	109.1478	0.254	5	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[3x6]	H	4:3:2:1:	3:3:4:4:	4:	C[3x6]-4:N[5]-3:O[5]-2:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-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)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H)	H(C[5]C[3x6]N[5]O[5])	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>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>,5|C<3>}	H(C[5]C[3x6]N[5]O[5])	109.0875	0.166	2	109.0875	0.028	2	109.0875	0.028	2	109.0875	0.028	2	109.1478	0.254	5	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C[5]-4:O[5]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x6]C[6,6]3)(C[5]C[5]CH)(O[5]N[5])(H)	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]O[5]H)	H(C[5]C[3x6]C[5]O[5])	C[5](C[3x6]C[6,6]3)(C[5]C[5]CH)(O[5]N[5])(H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]O[5]H){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[3x6]C[5]O[5])	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	109.1478	0.254	5	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6,6]	H	4:4:3:1:	3:4:4:4:	4:	C[6,6]-4:C[5]-4:C[5]-3:H-1:	C[5a,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[6,6]C[5a,6]C[6,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[5,6]C[6]H)(C[5]C[5]2H)(C[6]C[6]HH)	H(C[5]C[6,6]C[5]2)	C[5](C[6,6]C[5a,6]C[6,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[5,6]C[6]H)(C[5]C[5]2H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,7|H<1>}	H(C[5]C[6,6]C[5]2)	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	106.4100	2.747	2	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C[6,6]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[6,6]C[6,6]C[6]2)(C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)	C[6,6](C[5]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	H(C[5]C[5,6]C[6,6]C[5])	C[5](C[6,6]C[6,6]C[6]2)(C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H){1|C<3>,1|O<1>,3|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<3>,5|C<4>,7|H<1>}	H(C[5]C[5,6]C[6,6]C[5])	105.2380	0.000	1	105.2380	0.000	1	105.2380	0.000	1	105.2380	0.000	1	106.4100	2.747	2	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C[6])	109.5100	0.000	1	109.5100	0.000	1	109.5100	0.000	1	109.5100	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[5a,6]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6a]N[5,5a]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[5a,6]HO)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]N[5,5a]C[6])	110.8290	0.000	1	110.8290	0.000	1	110.2512	0.392	6	109.9249	1.099	8	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6a]N[5,5a]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]N[5,5a]C[6])	110.5480	0.522	2	110.5480	0.272	2	110.2512	0.392	6	109.9249	1.099	8	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6a]N[5,5a]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]N[5,5a]C[6])	110.4900	0.000	1	110.1445	0.239	2	110.2512	0.392	6	109.9249	1.099	8	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6a]N[5,5a]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]N[5,5a]C[6])	109.7990	0.000	1	110.1445	0.239	2	110.2512	0.392	6	109.9249	1.099	8	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HO)(C[6]O[6]HH)(H)	H(C[5]C[5,6a]N[5,5a]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5,5a]C[6])	109.2930	0.000	1	109.2930	0.000	1	110.2512	0.392	6	109.9249	1.099	8	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[5]-3:C[5]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(H){2|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H){2|H<1>,3|C<3>,4|C<4>}	H(C[5]C[5]2C[6])	107.6860	0.000	1	107.6860	0.000	1	107.6860	0.000	1	109.9249	1.099	8	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	N[5]-3:B[5]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(B[5]C[6]N[5])(C[6]C[6]2H)(H)	C[6](C[5]B[5]N[5]H)(C[6]C[6]HH)2(H)	H(C[5]B[5]C[6]N[5])	C[5](N[5]C[6a]C[5])(B[5]C[6]N[5])(C[6]C[6]2H)(H){3|C<3>,4|C<4>,5|H<1>}	C[6](C[5]B[5]N[5]H)(C[6]C[6]HH)2(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]B[5]C[6]N[5])	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	109.9249	1.099	8	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:4:2:1:	3:4:3:1:	4:	C[5,6a]-3:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H)	H(C[5]C[5,6a]C[6]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6]O[5])	109.2245	0.868	4	109.2245	0.754	4	109.2245	0.754	4	109.2245	0.754	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[5,6a]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-4:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2F)(O[5]C[5])(H)	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(F)	H(C[5]C[5,6a]C[6]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2F)(O[5]C[5])(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(F){2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6]O[5])	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6]O[5])	C[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6]O[5])	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5]N[5]O)(H){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	H(C[5]C[5,6a]C[5]C[6])	108.3235	0.697	4	108.3235	0.486	4	108.3235	0.486	4	108.3235	0.486	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(H)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(H)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5,6a]C[5]C[6])	107.5900	0.000	1	107.5900	0.000	1	107.5900	0.000	1	107.5900	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]S)(H)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]S)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C[6])	108.4850	0.219	2	108.4850	0.048	2	108.4850	0.048	2	108.6998	0.326	5	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]C[5]S)(H)	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[5,6a]C[6]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]C[5]S)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]HH)2(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6]N[5])	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	108.6998	0.326	5	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[5]-3:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)(H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)(H){5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H){2|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5]2C[6])	108.4240	0.218	2	108.4240	0.047	2	108.4240	0.047	2	108.6998	0.326	5	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:4:3:1:	4:4:4:2:	4:	C[5]-3:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5]C[6,6]C[5])(C[6]C[6]2O)(C[5]C[5]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(OTi)	H(C[5]C[5]2C[6])	C[5](C[5]C[6,6]C[5])(C[6]C[6]2O)(C[5]C[5]H)(H){4|C<4>,7|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(OTi){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2C[6])	108.4150	0.000	1	108.4150	0.000	1	108.4150	0.000	1	108.4150	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:4:3:1:	4:4:4:4:	4:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5]C[6]2)(C[5]C[5]H)(H)	C[6](C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(C[6]C[6]HH)2	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5]C[6]2)(C[5]C[5]H)(H){1|Fe<10>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(C[6]C[6]HH)2{3|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6a]C[5]C[6])	107.3290	0.000	1	107.3290	0.000	1	107.3290	0.000	1	107.3290	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(C[6]C[6]2H)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|B<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C[6])	106.4120	0.000	1	106.4120	0.000	1	106.4120	0.000	1	106.4120	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(C[6]C[6]2H)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5]C[6])	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	109.9925	1.669	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[5]C[6]N[5])	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)(H){1|O<1>,4|C<4>,5|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]C[6]N[5])	110.2157	1.485	3	110.2157	2.205	3	110.2157	2.205	3	109.9925	1.669	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[6]C[6]2H)(O[5]C[5])2(H)	C[6](C[5]O[5]2H)(C[6]S[6]HH)(C[6]C[6]O)(H)	H(C[5]C[6]O[5]2)	C[5](C[6]C[6]2H)(O[5]C[5])2(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5]O[5]2H)(C[6]S[6]HH)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	H(C[5]C[6]O[5]2)	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H)	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H)	H(C[5]C[6]O[5]2)	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H){1|O<1>,2|C<3>,3|H<1>,7|C<4>}	H(C[5]C[6]O[5]2)	109.3110	0.000	1	109.3110	0.000	1	111.9945	10.061	4	110.6906	6.355	8	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H)	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H)	H(C[5]C[6]O[5]2)	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	H(C[5]C[6]O[5]2)	112.8890	3.208	3	112.8890	10.291	3	111.9945	10.061	4	110.6906	6.355	8	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H)	C[6](C[5]O[5]2H)(C[6]C[6]HH)2(H)	H(C[5]C[6]O[5]2)	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5]O[5]2H)(C[6]C[6]HH)2(H){3|C<4>,4|H<1>}	H(C[5]C[6]O[5]2)	109.7670	0.105	2	109.7670	0.011	2	109.7670	0.011	2	110.6906	6.355	8	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[6]C[6,6]C[6]H)(O[5]C[5])2(H)	C[6](C[6,6]C[6]2O[6])(C[5]O[5]2H)(C[6]C[6]HH)(H)	H(C[5]C[6]O[5]2)	C[5](C[6]C[6,6]C[6]H)(O[5]C[5])2(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6]2O[6])(C[5]O[5]2H)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	H(C[5]C[6]O[5]2)	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	110.6906	6.355	8	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H)	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H)	H(C[5]C[6]O[5]2)	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H){2|H<1>,5|C<4>}	H(C[5]C[6]O[5]2)	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	110.6906	6.355	8	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:2:2:1:	4:4:4:4:	4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[6]C[6,6]C[6]C)(O[5]C[5])2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]O[5]2H)(C[6]C[6]CH)(CH3)	H(C[5]C[6]O[5]2)	C[5](C[6]C[6,6]C[6]C)(O[5]C[5])2(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]O[5]2H)(C[6]C[6]CH)(CH3){1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[6]O[5]2)	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:2:3:1:	3:4:4:2:	4:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,5])(C[5]C[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,5])(C[5]C[5]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]C[6]O[5])	109.8390	0.000	1	109.8390	0.000	1	110.0927	0.052	3	110.0927	0.052	3	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:2:3:1:	3:4:4:2:	4:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,6])(C[5]C[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,6])(C[5]C[5]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]C[6]O[5])	110.2195	0.083	2	110.2195	0.007	2	110.0927	0.052	3	110.0927	0.052	3	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:2:3:1:	4:3:2:4:	4:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:C[6]-3:O[6]-2:C-4:	C[5]-4:	C[5](C[6]C[6]O[6]C)(O[5]C[5,5])(C[5]C[5]H)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]H)(O[6]C[6])(CH3)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]C)(O[5]C[5,5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]C[6]O[5])	111.2350	0.375	2	111.2350	0.140	2	111.2350	0.140	2	111.2350	0.140	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:2:1:	3:4:3:1:	4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]C)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[5]C[5]C[6]O[5])	109.0160	0.000	1	109.0160	0.000	1	109.4010	0.296	2	109.3030	0.312	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:2:1:	3:4:3:1:	4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5]C[6]O[5])	109.7860	0.000	1	109.7860	0.000	1	109.4010	0.296	2	109.3030	0.312	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:2:1:	3:4:3:1:	4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H){2|H<1>,6|C<3>}	H(C[5]C[5]C[6]O[5])	109.7530	0.000	1	109.7530	0.000	1	109.2050	0.601	2	109.3030	0.312	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:2:1:	3:4:3:1:	4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H){2|H<1>,5|C<3>}	H(C[5]C[5]C[6]O[5])	108.6570	0.000	1	108.6570	0.000	1	109.2050	0.601	2	109.3030	0.312	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:2:1:	4:2:4:3:	4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:O[6]-2:C[6]-4:C-3:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]C)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5]C[6]O[5])	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]CH)(O[6]C[6,6a])(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]CH)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]C[6]O[5])	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	109.0195	2.224	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:N[5]-3:S[5]-2:H-1:	C[6,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[6,6]O[6]H)(N[5]C[5]C)(S[5]C[5])(H)	C[6](C[6,6]C[6,6]N[6]H)(C[5]N[5]S[5]H)(O[6]C[6])(H)	H(C[5]C[6]N[5]S[5])	C[5](C[6]C[6,6]O[6]H)(N[5]C[5]C)(S[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[5]N[5]S[5]H)(O[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	H(C[5]C[6]N[5]S[5])	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	109.0195	2.224	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:2:1:	4:4:3:1:	4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]C[6]O[5])	108.9645	0.892	2	108.9645	0.795	2	110.0590	2.852	4	110.0590	2.852	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:2:1:	4:4:3:1:	4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]C[6]O[5])	109.9350	0.000	1	109.9350	0.000	1	110.0590	2.852	4	110.0590	2.852	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:2:1:	4:4:3:1:	4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[6]C[6]2H)(C[5]N[5]C)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]2H)(C[5]N[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]C[6]O[5])	112.3720	0.000	1	112.3720	0.000	1	110.0590	2.852	4	110.0590	2.852	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	H(C[5]C[5]C[6]O[5])	108.5790	0.000	1	108.5790	0.000	1	108.5790	0.000	1	110.3720	6.430	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[6]C[6]2H)(N[5]C[5]O)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[6]N[5]O[5])	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>}	C[6](C[5]N[5]O[5]H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[6]N[5]O[5])	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	110.3720	6.430	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:2:1:	4:4:4:2:	4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[6]C[6]2O)(C[5]C[5]Br)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]2O)(C[5]C[5]Br)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]C[6]O[5])	109.7230	0.000	1	109.7230	0.000	1	109.2935	0.369	2	109.2935	0.369	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:2:1:	4:4:4:2:	4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[6]C[6]2O)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]2O)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]C[6]O[5])	108.8640	0.000	1	108.8640	0.000	1	109.2935	0.369	2	109.2935	0.369	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:2:1:	4:4:4:4:	4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[6]C[6]2C)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]2C)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	H(C[5]C[5]C[6]O[5])	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[5]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[6]C[6,6a]C[5,6]H)(C[5]C[5,6a]O)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6,6a]C[5,6]H)(C[5]C[5,6a]O)2(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H){1|H<1>,1|O<2>,3|O<1>,6|C<3>}	H(C[5]C[5]2C[6])	108.2070	0.000	1	108.2070	0.000	1	108.2070	0.000	1	108.2070	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[5]-3:N[5]-3:H-1:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	H(C[5]C[5]C[6]N[5])	109.3720	0.000	1	109.5545	0.067	2	109.5545	0.067	2	109.5545	0.067	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[5]-3:N[5]-3:H-1:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	H(C[5]C[5]C[6]N[5])	109.7370	0.000	1	109.5545	0.067	2	109.5545	0.067	2	109.5545	0.067	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:3:1:	3:4:4:4:	4:	C[6]-4:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[6]C[6a]C[6]2)(C[5]C[5,6a]O)2(H)	C[6](C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]HH)2	H(C[5]C[5]2C[6])	C[5](C[6]C[6a]C[6]2)(C[5]C[5,6a]O)2(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]HH)2{1|C<4>,2|O<1>,4|C<3>,6|H<1>}	H(C[5]C[5]2C[6])	105.3900	0.000	1	105.3900	0.000	1	105.3900	0.000	1	105.3900	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:3:1:	4:4:4:1:	4:	C[6]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]C)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5]C[6]N[5])	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(C[6]C[6]2H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]N[6])(C[6]C[6]HH)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(C[6]C[6]2H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]N[6])(C[6]C[6]HH)(H){1|N<3>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]C[6]N[5])	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[5]-3:C[5]-4:H-1:	C[6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5,6]O)(C[5]O[5]CC)(H)	C[6](C[6]C[5,6]HH)(C[5]C[5]2H)(O[6]C[5,6])(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]H)(C[5]C[5,6]O)(C[5]O[5]CC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[5]C[5]2H)(O[6]C[5,6])(H){1|H<1>,1|O<1>,2|O<2>,6|C<4>}	H(C[5]C[5]2C[6])	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]C[6]N[5])	108.8020	0.000	1	108.8020	0.000	1	108.3780	0.235	3	108.2168	0.261	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|N<3>,1|P<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]C[6]N[5])	108.1660	0.448	2	108.1660	0.201	2	108.3780	0.235	3	108.2168	0.261	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]2H)(H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5]H)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]2H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5]H)(H){2|H<1>,3|C<4>,8|C<3>}	H(C[5]C[5]C[6]N[5])	107.7330	0.000	1	107.7330	0.000	1	107.7330	0.000	1	108.2168	0.261	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	3:4:4:4:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[6]C[6,6]C[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6,6]C[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5]C[6]O[5])	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[6]O[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H)	H(C[5]C[5]C[6]O[5])	C[5](C[5]O[5]HH)(C[6]O[6]2H)(O[5]C[5])(H){2|C<3>,2|C<4>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]C[6]O[5])	110.4890	0.259	2	110.4890	0.067	2	110.4890	0.067	2	110.4890	0.067	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:2:2:4:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:O[6]-2:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[6]O[6]2C)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6])2(CH3)	H(C[5]C[5]C[6]O[5])	C[5](C[5]N[5]CH)(C[6]O[6]2C)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5]C[5]O[5]H)(O[6]C[6])2(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[5]C[5]C[6]O[5])	109.1490	0.000	2	109.1490	0.000	2	109.1490	0.000	2	109.1490	0.000	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:2:4:3:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:C[6]-4:C-3:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5]C[6]O[5])	108.1970	0.920	3	108.1970	0.845	3	108.5050	0.943	4	108.5050	0.943	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:2:4:3:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:C[6]-4:C-3:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]C[6]O[5])	109.4290	0.000	1	109.4290	0.000	1	108.5050	0.943	4	108.5050	0.943	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:C[6]-4:C-4:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]C[6]O[5])	106.7160	0.000	1	106.9850	0.145	2	106.9850	0.145	2	106.9850	0.145	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:C[6]-4:C-4:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]C[6]O[5])	107.2540	0.000	1	106.9850	0.145	2	106.9850	0.145	2	106.9850	0.145	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-3:N[6]-2:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[6]C[6]N[6]C)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]N[6]O)(N[6]C[6])(CCHH)	H(C[5]C[5,6]C[6]O[5])	C[5](C[5,6]N[5,6]C[6]C)(C[6]C[6]N[6]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|N<2>,2|O<2>}	C[6](C[5]C[5,6]O[5]H)(C[6]N[6]O)(N[6]C[6])(CCHH){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[6]O[5])	109.0060	0.597	2	109.0060	0.356	2	109.0060	0.356	2	109.0060	0.356	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:3:3:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-3:N[6]-3:H-1:	C[5]-4:	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|O<2>,3|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]C[6]O[5])	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]C[5,6]HH)(O[5]N[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[5,6]O[6]H)(C[5]C[5,6]HH)(O[5]N[5,6])(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H){1|N<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]C[6]O[5])	110.8500	0.000	1	110.8500	0.000	1	109.9677	0.724	7	109.4625	1.047	13	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H){1|Si<4>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H){3|O<2>,4|H<1>,6|C<4>}	H(C[5]C[5]C[6]O[5])	108.4810	0.000	1	108.4810	0.000	1	109.9677	0.724	7	109.4625	1.047	13	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){3|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]C[6]O[5])	109.7580	0.000	1	109.7580	0.000	1	109.9677	0.724	7	109.4625	1.047	13	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]C[6]O[5])	110.3710	0.576	3	110.1713	0.381	4	109.9677	0.724	7	109.4625	1.047	13	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]C[6]O[5])	109.5720	0.000	1	110.1713	0.381	4	109.9677	0.724	7	109.4625	1.047	13	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]BrN)(O[6]C[6,6a])(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]BrN)(O[6]C[6,6a])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]C[6]O[5])	109.5530	0.000	1	109.5530	0.000	1	108.6166	0.596	5	109.4625	1.047	13	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,5|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5]C[6]O[5])	108.9105	0.327	2	108.9105	0.107	2	108.6166	0.596	5	109.4625	1.047	13	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]C[6]O[5])	107.8545	0.255	2	107.8545	0.065	2	108.6166	0.596	5	109.4625	1.047	13	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:O-1:	C[5]-4:	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(O)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H){1|Se<2>,3|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(O){4|H<1>,5|C<4>}	H(C[5]C[5]C[6]O[5])	110.1550	0.000	1	110.1550	0.000	1	110.1550	0.000	1	109.4625	1.047	13	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:2:2:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:O-2:	C[5]-4:	C[5](C[6]C[6]O[6]O)(C[5]O[5]CH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]O)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]C[6]O[5])	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:2:4:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]C[6]O[5])	108.1690	0.000	1	108.1690	0.000	1	108.1690	0.000	1	108.1690	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[5]C[5]CH)(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]C[6]O[5])	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	110.5073	0.001	3	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H){2|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]C[6]O[5])	110.5265	0.006	2	110.5265	0.000	2	110.5265	0.000	2	110.5073	0.001	3	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:3:2:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH)	H(C[5]C[5]C[6]O[5])	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H){1|B<3>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH){2|C<4>,3|O<2>,6|H<1>}	H(C[5]C[5]C[6]O[5])	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:3:4:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6]C[6]2C)(O[5]C[5,5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[5]C[5]C[6]O[5])	C[5](C[5]C[5,5]HH)(C[6]C[6]2C)(O[5]C[5,5])(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){3|C<4>,6|H<1>}	H(C[5]C[5]C[6]O[5])	109.1220	0.000	1	109.1220	0.000	1	109.1220	0.000	1	109.1220	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[4,5]O[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[4,5]C[6]O[5])	C[5](C[4,5]C[4,5]C[4]C)(C[6]C[6]2H)(O[5]C[5])(H){1|N<2>,3|C<4>,7|H<1>}	C[6](C[5]C[4,5]O[5]H)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[4,5]C[6]O[5])	108.2410	0.000	1	108.2410	0.000	1	108.2410	0.000	1	107.9891	1.053	15	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[6]O[5])	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6]O[5])	107.2810	0.401	7	107.2975	0.140	8	107.2975	0.140	8	107.9891	1.053	15	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[6]O[5])	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[6]O[5])	107.4130	0.000	1	107.2975	0.140	8	107.2975	0.140	8	107.9891	1.053	15	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]C[6]O[5])	108.5740	0.000	1	108.5740	0.000	1	108.8693	1.046	6	107.9891	1.053	15	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[6]C[6]2H)(O[5]B[5,5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[5]C[6]O[5])	C[5](C[5]C[6]O[5]H)(C[6]C[6]2H)(O[5]B[5,5])(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H){1|B<4>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]C[6]O[5])	108.6910	0.642	2	108.6910	0.412	2	108.8693	1.046	6	107.9891	1.053	15	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[5]C[6]O[5])	C[5](C[5]O[5]CH)(C[6]C[6]2H)(O[5]C[5])(H){4|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]C[6]O[5])	107.3540	0.000	1	107.3540	0.000	1	108.8693	1.046	6	107.9891	1.053	15	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]C[6]O[5])	109.9530	0.147	2	109.9530	0.022	2	108.8693	1.046	6	107.9891	1.053	15	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC)	H(C[5]C[5,6]C[6]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6]O[5])	109.2810	0.000	1	109.2810	0.000	1	104.8245	39.721	2	105.4250	20.942	3	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[6]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[6]O[5])	100.3680	0.000	1	100.3680	0.000	1	104.8245	39.721	2	105.4250	20.942	3	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:S-2:	C[5]-4:	C[5](C[5]N[5]CH)(C[6]C[6]2S)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(SC[6a])	H(C[5]C[5]C[6]O[5])	C[5](C[5]N[5]CH)(C[6]C[6]2S)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(SC[6a]){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[5]C[5]C[6]O[5])	106.6260	0.000	1	106.6260	0.000	1	106.6260	0.000	1	105.4250	20.942	3	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[6]C[6]2C)(O[5]C[5,5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[6]O[5])	C[5](C[5,6]C[5,5,6]C[6]H)(C[6]C[6]2C)(O[5]C[5,5])(H){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6]O[5])	107.7410	0.000	1	107.7410	0.000	1	107.7410	0.000	1	105.1393	24.149	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3){6|C<4>,6|H<1>}	H(C[5]C[5]C[6]O[5])	107.0890	0.000	1	104.2721	31.711	3	104.2721	31.711	3	105.1393	24.149	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3){6|C<4>,6|H<1>}	H(C[5]C[5]C[6]O[5])	102.8636	7.178	2	104.2721	31.711	3	104.2721	31.711	3	105.1393	24.149	4	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[6]C[6,6a]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6,6a]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5]2C[6])	106.6470	0.000	1	106.6470	0.000	1	106.6470	0.000	1	107.6080	1.847	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5a,6]-3:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(N[5]C[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5]C[6]N[5])	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	107.6080	1.847	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	3:4:3:4:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[6]C[6,6a]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH)	H(C[5]C[5]2C[6])	C[5](C[6]C[6,6a]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2C[6])	105.8070	0.000	1	105.8070	0.000	1	105.8070	0.000	1	105.8070	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5a,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(C[5]C[5]2H)(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(C[5]C[5]2H)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	H(C[5]C[5]2C[6])	107.5030	0.000	1	107.5030	0.000	1	107.5030	0.000	1	107.6917	0.029	3	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5]2C[6])	107.7860	0.074	2	107.7860	0.005	2	107.7860	0.005	2	107.6917	0.029	3	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H)	C[6](C[5]C[5]2H)(C[6]N[6]O)2(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H){2|H<1>,2|N<3>,2|O<1>}	C[6](C[5]C[5]2H)(C[6]N[6]O)2(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2C[6])	106.6250	0.000	1	106.6250	0.000	1	106.7515	0.032	2	106.7515	0.032	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H)	C[6](C[5]C[5]2H)(C[6]O[6]O)2(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H){2|H<1>,2|O<1>,2|O<2>}	C[6](C[5]C[5]2H)(C[6]O[6]O)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2C[6])	106.8780	0.000	1	106.8780	0.000	1	106.7515	0.032	2	106.7515	0.032	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[6](C[5]C[5]N[5]H)(C[6]O[6]CH)(O[6]C[6])(H)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5]N[5]H)(C[6]O[6]CH)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]C[6]N[5])	109.4990	0.155	3	109.4990	0.024	3	109.6570	0.102	5	109.7985	0.202	6	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[6](C[5]C[5]N[5]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]C[6]N[5])	110.1880	0.000	1	110.1880	0.000	1	109.6570	0.102	5	109.7985	0.202	6	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]C[6]N[5])	109.6000	0.000	1	109.6000	0.000	1	109.6570	0.102	5	109.7985	0.202	6	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[6,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[6,6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6](C[6,6]C[6,6a]2C[6])(C[5]C[5]N[5]H)(O[6]C[6])(H)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6,6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H){3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]2C[6])(C[5]C[5]N[5]H)(O[6]C[6])(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	H(C[5]C[5]C[6]N[5])	110.5060	0.000	1	110.5060	0.000	1	110.5060	0.000	1	109.7985	0.202	6	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:2:2:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-4:O[6]-2:O-2:	C[5]-4:	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6](C[6]C[6,6]HH)(C[5]C[5]2H)(O[6]C[6])(OH)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(C[5]N[5]O)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[5]C[5]2H)(O[6]C[6])(OH){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5]2C[6])	108.3200	0.000	1	108.3200	0.000	1	108.3200	0.000	1	108.1307	0.027	3	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:2:2:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:O[6]-2:O-2:	C[5]-4:	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(OC)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(OC){1|C<3>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	H(C[5]C[5]C[6]N[5])	108.0360	0.000	2	108.0360	0.000	2	108.0360	0.000	2	108.1307	0.027	3	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5]2C[6])	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	107.4730	0.883	3	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(C[6]C[6]2H)(N[5]C[5]H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]O[5]CC)(C[6]C[6]2H)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]C[6]N[5])	107.9875	0.422	2	107.9875	0.178	2	107.9875	0.178	2	107.4730	0.883	3	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:3:3:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO)	H(C[5]C[5]2C[6])	C[5](C[6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5]2C[6])	106.8580	0.000	1	106.8580	0.000	1	106.8580	0.000	1	106.8580	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,5]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5]C[6])	C[5](C[5,5]C[3,5]C[5,5]H)(C[6]C[6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]C[6])	105.0750	0.000	2	105.0750	0.000	2	106.0593	0.861	6	107.3927	2.363	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5]C[6])	C[5](C[5,5]C[5,5]C[5]H)(C[6]C[6]2H)(C[5]O[5]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]C[6])	106.5515	0.683	4	106.5515	0.466	4	106.0593	0.861	6	107.3927	2.363	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H){2|C<4>,8|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|S<4>,3|C<4>,5|H<1>}	H(C[5]C[5]C[6]N[5])	108.4030	0.000	1	108.6860	0.076	5	108.6860	0.076	5	107.3927	2.363	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H){2|C<4>,8|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|S<4>,4|C<4>,5|H<1>}	H(C[5]C[5]C[6]N[5])	108.7567	0.261	4	108.6860	0.076	5	108.6860	0.076	5	107.3927	2.363	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)	C[6](C[5,6]C[6]O[5]2)(C[5]C[5]N[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[5]C[5]N[5]H)(C[6]C[6]HH)(H){1|N<2>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]C[6]N[5])	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	107.3927	2.363	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2C[6])	106.8970	0.000	1	106.8970	0.000	1	105.6850	1.245	3	106.1201	1.656	7	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2C[6])	105.0790	0.536	2	105.0790	0.287	2	105.6850	1.245	3	106.1201	1.656	7	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2C[6])	107.2275	0.797	2	107.2275	0.635	2	107.2275	0.635	2	106.1201	1.656	7	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[3,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[6]C[3,6]C[6]O)(C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH)	H(C[5]C[5]2C[6])	C[5](C[6]C[3,6]C[6]O)(C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H){2|O<2>,3|H<1>,5|C<4>}	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5]2C[6])	106.9650	0.000	1	106.9650	0.000	1	106.9650	0.000	1	106.1201	1.656	7	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[5]C[5]2C[6])	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[5]C[5]2C[6])	104.3660	0.000	1	104.3660	0.000	1	104.3660	0.000	1	106.1201	1.656	7	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]O[5]C)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(CCHH)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]O[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(CCHH){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5]C[6]N[5])	108.2415	0.377	2	108.2415	0.142	2	108.2415	0.142	2	108.2415	0.142	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[6]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[6]C[6]N[6]H)(C[5]C[5]HH)2(H)	C[6](C[6]N[6,6]N)(C[5]C[5]2H)(N[6]N[6]H)(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]N[6]H)(C[5]C[5]HH)2(H){1|N<3>,2|N<2>,5|H<1>}	C[6](C[6]N[6,6]N)(C[5]C[5]2H)(N[6]N[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C[6])	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]N[6]HH)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]CC)(C[5]N[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]N[6]HH)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2C[6])	107.7450	0.000	1	107.7450	0.000	1	107.7450	0.000	1	107.7450	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:3:2:4:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-3:O[6]-2:C-4:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)2(H)	C[6](C[5]C[5]2H)(C[6]O[6]O)(O[6]C[6])(CH3)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)2(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[5]C[5]2H)(C[6]O[6]O)(O[6]C[6])(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2C[6])	99.6345	0.556	2	99.6345	0.310	2	99.6345	0.310	2	99.6345	0.310	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5]2C[6])	107.8070	0.000	1	107.8070	0.000	1	107.4965	0.193	2	107.4965	0.193	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CO)(O[6]C[6])(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2C[6])	107.1860	0.000	1	107.1860	0.000	1	107.4965	0.193	2	107.4965	0.193	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:2:4:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){5|H<1>,6|C<4>}	H(C[5]C[5]2C[6])	107.6140	0.000	1	107.6140	0.000	1	107.6140	0.000	1	107.6140	0.000	1	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C[6])	106.4930	0.000	1	106.4930	0.000	1	106.4930	0.000	1	108.6474	1.076	7	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]2H)(H)	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]2H)(H){1|Si<4>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H){1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5]2C[6])	109.6290	0.000	1	109.6290	0.000	1	109.0065	0.208	6	108.6474	1.076	7	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[5]C[5]2H)(C[6]O[6]O)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[5]C[5]2H)(C[6]O[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2C[6])	108.8820	0.380	5	108.8820	0.144	5	109.0065	0.208	6	108.6474	1.076	7	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC)	H(C[5]C[5,5]C[5]C[6])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC){1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]C[6])	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	107.0935	0.034	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH)	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2C[6])	106.9630	0.000	1	106.9630	0.000	1	106.9630	0.000	1	107.0935	0.034	2	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(C[6]C[6]2H)(H)	C[6](C[5]C[3x5]C[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[3x5]C[5]C[6])	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(C[6]C[6]2H)(H){2|O<2>,4|C<4>,9|H<1>}	C[6](C[5]C[3x5]C[5]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[3x5]C[5]C[6])	105.0760	0.335	2	105.0760	0.112	2	105.0760	0.112	2	106.6117	1.418	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N)(C[5]O[5]CH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[5,5]C[5]C[6])	C[5](C[5,5]C[5,5]C[5]N)(C[5]O[5]CH)(C[6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C[6])	107.0010	0.000	1	107.0010	0.000	1	107.0010	0.000	1	106.6117	1.418	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]C[6])	107.5320	0.000	1	107.5073	0.055	3	107.4180	0.069	4	106.6117	1.418	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]C[6])	107.7290	0.000	1	107.5073	0.055	3	107.4180	0.069	4	106.6117	1.418	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|O<2>,4|C<4>,8|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]C[6])	107.2610	0.000	1	107.5073	0.055	3	107.4180	0.069	4	106.6117	1.418	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2(H)	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(C[6]C[6]2H)(H){2|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C[6])	107.1500	0.000	1	107.1500	0.000	1	107.4180	0.069	4	106.6117	1.418	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[5]C[5,6]C[5]H)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]C[6]H)(C[5]C[5]HH)(H){3|C<4>,3|O<2>,7|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[5]C[5,6]C[5]H)(C[6]O[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]C[6])	105.6050	0.000	1	105.6050	0.000	1	106.5155	1.658	2	106.6117	1.418	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[6]C[6,6]C[6]H)(C[5]C[5,6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]O[5,6]C[6]H)(C[6]C[6,6]C[6]H)(C[5]C[5,6]CH)(H){1|C<3>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C[6])	107.4260	0.000	1	107.4260	0.000	1	106.5155	1.658	2	106.6117	1.418	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|F<1>,6|H<1>}	H(C[5]C[5]2C[6])	105.9250	0.000	1	105.9250	0.000	1	105.5150	0.336	2	106.6117	1.418	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H){1|N<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]2C[6])	105.1050	0.000	1	105.1050	0.000	1	105.5150	0.336	2	106.6117	1.418	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,5]CC)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,5]CC)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	H(C[5]C[5]2C[6])	108.4540	0.000	1	108.4540	0.000	1	108.4540	0.000	1	106.6117	1.418	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH)	H(C[5]C[5,5]C[5]C[6])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH){3|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C[6])	104.0990	0.525	2	104.0990	0.275	2	104.0990	0.275	2	105.3531	0.783	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5]2C[6])	105.8100	0.000	1	105.8100	0.000	1	105.8193	0.410	3	105.3531	0.783	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5]2C[6])	106.4640	0.000	1	105.8240	0.819	2	105.8193	0.410	3	105.3531	0.783	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2C[6])	105.1840	0.000	1	105.8240	0.819	2	105.8193	0.410	3	105.3531	0.783	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){2|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5]2C[6])	105.6930	0.000	1	105.6930	0.000	1	105.5116	0.590	7	105.3531	0.783	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5]2C[6])	105.8780	0.000	1	105.8780	0.000	1	105.5116	0.590	7	105.3531	0.783	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5]2C[6])	105.8015	0.200	4	105.8015	0.040	4	105.5116	0.590	7	105.3531	0.783	12	108.2013	4.499	212	108.6571	4.967	6967
474	466	951	0:SP3_SP-NON_SP3	C[5]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5]2C[6])	103.8040	0.000	1	103.8040	0.000	1	105.5116	0.590	7	105.3531	0.783	12	108.2013	4.499	212	108.6571	4.967	6967