466	466	654	6:SP3_SP3_SP3	C[6,6]	C[6]	B[3,6,6]	4:4:4:1:	4:4:1:1:	4:5:4:4:	B[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	B[3]-4:B[3]-5:C[6,6]-4:C[6,6]-4:	C[6,6](B[3,6,6]C[6,6]B[3]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3,6,6]C[6]H)(C[6]C[6]HH)(H)2	B[3,6,6](B[3]C[5a]B[3]C[5])(B[3]B[3]C[5]HH)(C[6,6]C[6]2H)2	C[6,6](B[3,6,6]C[6,6]B[3]2)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]B[3,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|B<5>,2|C<4>,4|H<1>}	B[3,6,6](B[3]C[5a]B[3]C[5])(B[3]B[3]C[5]HH)(C[6,6]C[6]2H)2{1|C<3>,1|S<2>,2|C<4>,4|N<3>,8|H<1>}	109.0738	3.268	4	109.0738	10.678	4	109.0738	10.678	4	109.0738	10.678	4	109.0738	10.678	4	109.0738	10.678	4
466	466	658	0:SP3_SP3_SP3	C[3x6]	C[6,6]	Si[6]	4:4:4:1:	4:4:4:1:	4:2:4:4:	C[4x6]-4:C[6,6]-4:Si[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:O[6]-2:C-4:C-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H)	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H)	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2{1|C<3>,3|H<1>,4|C<4>}	116.8560	0.000	1	117.1833	0.080	3	117.1833	0.080	3	117.1833	0.080	3	117.1833	0.080	3	116.2637	2.964	10
466	466	658	0:SP3_SP3_SP3	C[3x6]	C[6,6]	Si[6]	4:4:4:1:	4:4:4:1:	4:2:4:4:	C[4x6]-4:C[6,6]-4:Si[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:O[6]-2:C-4:C-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H)	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H)	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2{1|C<3>,3|H<1>,4|C<4>}	117.3470	0.000	2	117.1833	0.080	3	117.1833	0.080	3	117.1833	0.080	3	117.1833	0.080	3	116.2637	2.964	10
466	466	658	0:SP3_SP3_SP3	C[6,6]	C[6]	Si[6]	4:4:3:4:	4:3:1:1:	4:2:4:4:	C[6,6]-4:Si[6]-4:C[6a]-3:C[6]-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6a]Si[6])(N[6]C[6]S)(H)2	Si[6](C[6,6]C[6,6]C[6a]C[6])(O[6]Si[6])(CH3)2	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6a]C[6a]2)(C[6]N[6]HH){1|Si<4>,1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6a]Si[6])(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	Si[6](C[6,6]C[6,6]C[6a]C[6])(O[6]Si[6])(CH3)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	112.9710	0.000	1	112.9710	0.000	1	112.9710	0.000	1	112.9710	0.000	1	115.8696	3.815	7	116.2637	2.964	10
466	466	658	0:SP3_SP3_SP3	C[6,6]	C[6]	Si[6]	4:4:4:1:	4:3:1:1:	4:2:4:4:	C[6,6]-4:Si[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CCHH)2	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H){1|Si<4>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CCHH)2{1|N<3>,3|C<4>,4|H<1>}	115.3075	0.494	2	115.3075	0.244	2	114.9873	0.430	3	114.9873	0.430	3	115.8696	3.815	7	116.2637	2.964	10
466	466	658	0:SP3_SP3_SP3	C[6,6]	C[6]	Si[6]	4:4:4:1:	4:3:1:1:	4:2:4:4:	C[6,6]-4:Si[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CH3)2	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|S<4>}	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CH3)2{1|N<3>,3|C<4>,4|H<1>}	114.3470	0.000	1	114.3470	0.000	1	114.9873	0.430	3	114.9873	0.430	3	115.8696	3.815	7	116.2637	2.964	10
466	466	658	0:SP3_SP3_SP3	C[6,6]	C[6]	Si[6]	4:4:4:1:	4:4:1:1:	3:4:3:4:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C-4:	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]CH)(H)2	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	116.8960	0.000	1	116.8960	0.000	1	117.7180	0.521	3	117.7180	0.521	3	115.8696	3.815	7	116.2637	2.964	10
466	466	658	0:SP3_SP3_SP3	C[6,6]	C[6]	Si[6]	4:4:4:1:	4:4:1:1:	3:4:3:4:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C-4:	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]HH)(H)2	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3){1|C<4>,1|F<1>,1|N<3>,4|C<3>,6|H<1>}	118.2480	0.000	1	118.1290	0.028	2	117.7180	0.521	3	117.7180	0.521	3	115.8696	3.815	7	116.2637	2.964	10
466	466	658	0:SP3_SP3_SP3	C[6,6]	C[6]	Si[6]	4:4:4:1:	4:4:1:1:	3:4:3:4:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C-4:	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]HH)(H)2	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	118.0100	0.000	1	118.1290	0.028	2	117.7180	0.521	3	117.7180	0.521	3	115.8696	3.815	7	116.2637	2.964	10
466	466	658	6:SP3_SP3_SP3	C[3x6]	C[4x6]	Si[6]	4:4:4:1:	4:4:3:4:	4:2:4:4:	C[4x6]-4:C[6,6]-4:Si[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:O[6]-2:C-4:C-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H)	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]C[6]CH)	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H){1|C<3>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,6|H<1>}	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2{1|C<3>,3|H<1>,4|C<4>}	111.3190	0.000	1	111.3190	0.000	1	112.3237	0.757	3	112.3237	0.757	3	112.3237	0.757	3	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[3x6]	C[4x6]	Si[6]	4:4:4:1:	4:4:3:4:	4:2:4:4:	C[4x6]-4:C[6,6]-4:Si[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:O[6]-2:C-4:C-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H)	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]CH)	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H){1|O<1>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2{1|C<3>,3|H<1>,4|C<4>}	112.8260	0.000	2	112.8260	0.000	2	112.3237	0.757	3	112.3237	0.757	3	112.3237	0.757	3	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6,6]	C[6,6]	Si[3x6]	4:4:1:1:	4:3:1:1:	4:4:4:3:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:P[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2)(H)2	Si[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2)	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	Si[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2){1|P<3>,2|C<3>,8|H<1>}	110.0460	0.438	3	110.0460	0.192	3	110.0460	0.192	3	110.0460	0.192	3	110.3786	5.669	13	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6,6]	C[6,6]	Si[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:3:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2B)(H)2	Si[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2)	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{1|B<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2B)(H)2{1|C<3>,2|C<4>,4|H<1>}	Si[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2){1|P<4>,2|C<3>,8|H<1>}	110.2877	0.179	3	110.2877	0.032	3	109.6939	1.477	9	109.6939	1.477	9	110.3786	5.669	13	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6,6]	C[6,6]	Si[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:3:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2Pt)(H)2	Si[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2)	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{1|Pt<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2Pt)(H)2{1|C<3>,2|C<4>,4|H<1>}	Si[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2){1|P<4>,2|C<3>,8|H<1>}	109.3970	1.426	6	109.3970	2.033	6	109.6939	1.477	9	109.6939	1.477	9	110.3786	5.669	13	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6,6]	C[6,6]	Si[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	Si[6,6]-4:Si[6,6]-4:C[6,6]-4:Si-4:	C[6,6](Si[3x6]Si[6,6]2Si)(C[6,6]Si[3x6]HH)(H)2	C[6,6](Si[3x6]Si[6,6]2Si)(C[6,6]Si[3x6]HH)(H)2	Si[3x6](Si[6,6]Si[6,6]CC)2(C[6,6]C[6,6]HH)(SiC3)	C[6,6](Si[3x6]Si[6,6]2Si)(C[6,6]Si[3x6]HH)(H)2{3|Si<4>,4|C<4>}	C[6,6](Si[3x6]Si[6,6]2Si)(C[6,6]Si[3x6]HH)(H)2{3|Si<4>,4|C<4>}	Si[3x6](Si[6,6]Si[6,6]CC)2(C[6,6]C[6,6]HH)(SiC3){1|Si<4>,2|H<1>,4|C<4>}	117.5390	0.000	1	117.5390	0.000	1	117.5390	0.000	1	117.5390	0.000	1	110.3786	5.669	13	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6,6]	C[6,6]	Si[6]	4:4:3:4:	4:4:1:1:	4:2:4:4:	C[6,6]-4:Si[6]-4:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6,6](C[6,6]C[6a]Si[6]C[6])(C[6,6]Si[6]C[6]H)(H)2	Si[6](C[6,6]C[6,6]C[6a]C[6])(O[6]Si[6])(CH3)2	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6a]C[6a]2)(C[6]N[6]HH){1|Si<4>,1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6a]Si[6]C[6])(C[6,6]Si[6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	Si[6](C[6,6]C[6,6]C[6a]C[6])(O[6]Si[6])(CH3)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	107.6557	11.370	7	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6,6]	C[6,6]	Si[6]	4:4:4:1:	3:4:1:1:	3:4:3:4:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C-4:	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3){1|C<4>,1|F<1>,1|N<3>,4|C<3>,6|H<1>}	104.1170	0.000	1	104.1470	0.017	3	104.1470	0.017	3	104.1470	0.017	3	107.6557	11.370	7	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6,6]	C[6,6]	Si[6]	4:4:4:1:	3:4:1:1:	3:4:3:4:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C-4:	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	104.0330	0.000	1	104.1470	0.017	3	104.1470	0.017	3	104.1470	0.017	3	107.6557	11.370	7	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6,6]	C[6,6]	Si[6]	4:4:4:1:	3:4:1:1:	3:4:3:4:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C-4:	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	104.2910	0.000	1	104.1470	0.017	3	104.1470	0.017	3	104.1470	0.017	3	107.6557	11.370	7	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6,6]	C[6,6]	Si[6]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[6,6]-4:Si[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6a]Si[6]C[6])(C[6,6]Si[6]C[6]H)(H)2	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CH3)2	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|S<4>}	C[6,6](C[6,6]C[6a]Si[6]C[6])(C[6,6]Si[6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CH3)2{1|N<3>,3|C<4>,4|H<1>}	109.6960	0.000	1	109.6960	0.000	1	110.6810	0.846	3	110.6810	0.846	3	107.6557	11.370	7	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6,6]	C[6,6]	Si[6]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[6,6]-4:Si[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H)	C[6,6](C[6,6]Si[6]C[6]H)2(H)2	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CCHH)2	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H){1|Si<4>,1|C<4>,1|H<1>,1|S<4>}	C[6,6](C[6,6]Si[6]C[6]H)2(H)2{1|N<3>,1|O<2>,4|C<4>,4|H<1>}	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CCHH)2{1|N<3>,3|C<4>,4|H<1>}	111.1735	0.486	2	111.1735	0.236	2	110.6810	0.846	3	110.6810	0.846	3	107.6557	11.370	7	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6,6]	C[6]	Si[6]	3:3:4:4:	4:3:1:1:	4:3:4:1:	C[6,6a]-3:C[6,6a]-3:Si[6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])2(Si[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]2Si[6])(C[6]C[6]C)(H)2	Si[6](C[6,6]C[6,6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(Si[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6](C[6,6]C[6,6a]2Si[6])(C[6]C[6]C)(H)2{1|H<1>,2|C<4>,5|C<3>}	Si[6](C[6,6]C[6,6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|C<4>,7|C<3>}	106.2440	0.000	1	106.2440	0.000	1	106.2440	0.000	1	106.2440	0.000	1	106.2440	0.000	1	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6,6]	Si[6]	4:4:1:1:	3:4:3:4:	4:4:4:4:	C[6,6]-4:Si[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(Si[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]Si[6]HH)(C[6]N[6]O)(CH3)	Si[6](C[6]C[6,6]HH)(C[6]N[6]CC)(CCCH)2	C[6](C[6,6]C[6,6]C[6]C)(Si[6]C[6]CC)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]Si[6]HH)(C[6]N[6]O)(CH3){2|C<3>,4|C<4>}	Si[6](C[6]C[6,6]HH)(C[6]N[6]CC)(CCCH)2{1|C<4>,2|C<3>}	114.6690	0.000	1	114.6690	0.000	1	114.6690	0.000	1	114.6690	0.000	1	112.8500	6.618	2	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6,6]	Si[6]	4:4:1:1:	3:4:4:1:	4:4:4:4:	C[6,6]-4:Si[6]-4:H-1:H-1:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[4x6]-4:C[6]-4:C-4:C-4:	C[6](C[6,6]C[3x6]C[5,6]H)(Si[6]C[4x6]CC)(H)2	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)	Si[6](C[4x6]C[5,6,6]C[4x6]C[6,6])(C[6]C[6,6]HH)(CH3)2	C[6](C[6,6]C[3x6]C[5,6]H)(Si[6]C[4x6]CC)(H)2{1|H<1>,3|C<3>,3|C<4>}	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>}	Si[6](C[4x6]C[5,6,6]C[4x6]C[6,6])(C[6]C[6,6]HH)(CH3)2{3|C<3>,3|C<4>,3|H<1>}	111.0310	0.000	1	111.0310	0.000	1	111.0310	0.000	1	111.0310	0.000	1	112.8500	6.618	2	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:3:1:1:	3:3:4:4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](Si[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2	Si[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](Si[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	Si[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{2|O<2>,5|C<3>,6|H<1>}	112.1470	1.648	2	112.1470	2.714	2	112.1470	2.714	2	112.1470	2.714	2	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:3:1:1:	3:4:4:4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CH3)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CH3){3|C<3>,6|H<1>}	110.8325	1.224	2	110.8325	1.498	2	110.8325	1.498	2	110.8325	1.498	2	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:4:1:1:	3:3:4:4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](Si[6]C[6a]2C[6])(C[6]N[6]HH)(H)2	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2	Si[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](Si[6]C[6a]2C[6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	Si[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|N<4>,4|C<3>,8|H<1>}	112.0365	1.513	2	112.0365	2.288	2	112.0365	2.288	2	112.0365	2.288	2	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:4:1:1:	3:4:3:4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,3|C<3>,4|H<1>}	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	Si[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	Si[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	111.3270	0.000	1	111.3270	0.000	1	111.3270	0.000	1	112.0522	0.960	9	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	Si[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6](Si[6]C[6,6a]CC)(C[6]Si[6]HH)(H)2	C[6](Si[6]C[6,6a]CC)(C[6]Si[6]HH)(H)2	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](Si[6]C[6,6a]CC)(C[6]Si[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](Si[6]C[6,6a]CC)(C[6]Si[6]HH)(H)2{2|C<3>,2|C<4>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|Si<4>,2|C<3>,3|H<1>}	112.1429	1.007	8	112.1429	1.013	8	112.1429	1.013	8	112.0522	0.960	9	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:4:1:1:	4:3:4:4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:C-4:	C[6](Si[6]C[5,6]C[6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]Si[6]HH)(H)2	Si[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](Si[6]C[5,6]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]Si[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	Si[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	115.2633	11.410	3	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:4:1:1:	4:3:4:4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6](Si[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)2(H)2	Si[6](C[6]C[6]HH)(C[6]Si[6]C)(CH3)2	C[6](Si[6]C[6]CC)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<2>,2|H<1>}	C[6](C[6]Si[6]HH)2(H)2{1|C<3>,4|C<4>}	Si[6](C[6]C[6]HH)(C[6]Si[6]C)(CH3)2{2|H<1>,3|C<4>}	117.2110	0.243	2	117.2110	0.059	2	117.2110	0.059	2	115.2633	11.410	3	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:Cl-1:	C[6](Si[6]C[6]Cl2)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	Si[6](C[6]C[6]HH)2(Cl)2	C[6](Si[6]C[6]Cl2)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<4>,2|H<1>}	Si[6](C[6]C[6]HH)2(Cl)2{1|C<4>,4|H<1>}	108.8385	0.547	2	108.8385	0.299	2	108.8385	0.299	2	108.8385	0.299	2	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:4:1:1:	4:4:2:2:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6](Si[6]C[6]OO)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	Si[6](C[6]C[6]HH)2(OC[6a])2	C[6](Si[6]C[6]OO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	Si[6](C[6]C[6]HH)2(OC[6a])2{1|C<4>,4|H<1>}	113.0455	3.451	6	113.0455	11.911	6	113.0455	11.911	6	113.0455	11.911	6	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:4:1:1:	4:4:3:3:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:N[5]-3:	C[6](Si[6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	Si[6](C[6]C[6]HH)2(N[5]C[5]2)2	C[6](Si[6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	Si[6](C[6]C[6]HH)2(N[5]C[5]2)2{1|C<4>,2|C<3>,2|N<3>,8|H<1>}	109.1145	2.135	2	109.1145	4.557	2	109.1145	4.557	2	109.1145	4.557	2	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C-4:C-4:	C[6](Si[6]P[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)2(H)2	Si[6](P[6]C[6a]2Si[6])(C[6]C[6]HH)(CH3)2	C[6](Si[6]P[6]CC)(C[6]C[6]HH)(H)2{1|Si<4>,2|C<3>,2|H<1>}	C[6](C[6]Si[6]HH)2(H)2{1|P<4>,4|C<4>}	Si[6](P[6]C[6a]2Si[6])(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>,4|C<3>}	118.9575	1.626	2	118.9575	2.643	2	118.9575	2.643	2	115.7749	5.861	8	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	Si[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:Si-4:	C[6](Si[6]C[6]Si2)(C[6]Si[6]HH)(H)2	C[6](Si[6]C[6]Si2)(C[6]Si[6]HH)(H)2	Si[6](C[6]C[6]HH)2(SiC3)2	C[6](Si[6]C[6]Si2)(C[6]Si[6]HH)(H)2{2|Si<4>,1|C<4>,2|H<1>}	C[6](Si[6]C[6]Si2)(C[6]Si[6]HH)(H)2{2|Si<4>,1|C<4>,2|H<1>}	Si[6](C[6]C[6]HH)2(SiC3)2{1|Si<4>,4|H<1>}	113.8580	0.646	4	113.8580	0.417	4	113.8580	0.417	4	115.7749	5.861	8	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	Si[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:Si-4:Si-4:	C[6](Si[6]Si[6]Si2)(C[6]Si[6]HH)(H)2	C[6](Si[6]Si[6]Si2)(C[6]Si[6]HH)(H)2	Si[6](Si[6]Si[6]CC)(C[6]C[6]HH)(SiC3)2	C[6](Si[6]Si[6]Si2)(C[6]Si[6]HH)(H)2{3|Si<4>,2|C<4>}	C[6](Si[6]Si[6]Si2)(C[6]Si[6]HH)(H)2{3|Si<4>,2|C<4>}	Si[6](Si[6]Si[6]CC)(C[6]C[6]HH)(SiC3)2{1|Si<4>,2|C<4>,2|H<1>}	116.4260	1.153	2	116.4260	1.328	2	116.4260	1.328	2	115.7749	5.861	8	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:Si[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:Cl-1:Cl-1:	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H)	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2{1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>}	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H){2|Cl<1>,1|C<4>,2|H<1>}	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2{2|Si<4>,3|H<1>}	113.7680	0.000	1	113.7680	0.000	1	114.3845	0.760	2	114.3845	0.760	2	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:Si[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:Cl-1:Cl-1:	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H)	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2{1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>}	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H){2|Cl<1>,1|C<4>,2|H<1>}	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2{2|Si<4>,3|H<1>}	115.0010	0.000	1	115.0010	0.000	1	114.3845	0.760	2	114.3845	0.760	2	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:1:1:	4:4:4:4:	4:3:4:1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si[6]-4:C-4:C-4:	C[6]-4:C[6]-3:Si-4:H-1:	C[6](Si[6]C[6]SiH)(C[6]Si[6]CC)(H)2	C[6](C[6]Si[6]HH)(Si[6]C[6]CC)(CH3)2	Si[6](C[6]C[6]HH)(C[6]C[6]C)(SiC3)(H)	C[6](Si[6]C[6]SiH)(C[6]Si[6]CC)(H)2{1|C<3>,3|C<4>}	C[6](C[6]Si[6]HH)(Si[6]C[6]CC)(CH3)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	Si[6](C[6]C[6]HH)(C[6]C[6]C)(SiC3)(H){1|Si<4>,3|C<4>}	115.4230	0.000	1	115.4230	0.000	1	115.4230	0.000	1	115.4230	0.000	1	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:3:1:	4:4:3:1:	3:4:4:4:	Si[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]CH)(COO)(H)	C[6](C[6]Si[6]CH)(C[6]C[6]HH)(COO)(H)	Si[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]CH)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]Si[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	Si[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:3:4:	4:3:1:1:	4:4:4:2:	Si[6]-4:C[6]-4:N-3:Si-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:Si-4:O-2:	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3)	C[6](C[6]Si[6]SiN)(C[6]C[6]C)(H)2	Si[6](C[6]C[6]SiN)(C[6]C[6]HH)(SiC3)(OSi)	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]Si[6]SiN)(C[6]C[6]C)(H)2{1|Si<4>,1|O<2>,2|C<4>}	Si[6](C[6]C[6]SiN)(C[6]C[6]HH)(SiC3)(OSi){1|C<3>,1|C<4>,2|H<1>}	100.4048	1.013	2	100.4048	1.026	2	100.4048	1.026	2	100.4048	1.026	2	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:4:1:	3:4:4:1:	3:4:4:4:	Si[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]CH)(CCHH)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H)	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CCCH)2	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]CH)(CCHH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CCCH)2{1|C<4>,2|H<1>,3|C<3>}	109.3285	0.800	2	109.3285	0.640	2	109.3285	0.640	2	109.3285	0.640	2	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:Cl-1:	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H)	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H){2|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2{1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>}	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2{2|Si<4>,3|H<1>}	108.8390	0.000	1	108.8390	0.000	1	108.8815	0.004	2	108.8815	0.004	2	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:Cl-1:	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H)	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H){2|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2{1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>}	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2{2|Si<4>,3|H<1>}	108.9240	0.000	1	108.9240	0.000	1	108.8815	0.004	2	108.8815	0.004	2	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:4:1:	4:4:4:1:	3:4:4:4:	Si[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6](Si[6]C[5,6]CC)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H)	Si[6](C[5,6]Si[5,6,6]C[5])(C[6]C[6]CH)(CH3)2	C[6](Si[6]C[5,6]CC)(C[6]C[6]CH)(CH3)(H){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H){2|C<3>,3|C<4>}	Si[6](C[5,6]Si[5,6,6]C[5])(C[6]C[6]CH)(CH3)2{1|H<1>,3|C<3>,3|C<4>}	118.6900	0.701	4	118.6900	0.491	4	118.6900	0.491	4	118.6900	0.491	4	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:4:4:	3:4:1:1:	4:4:4:2:	Si[6]-4:C[6]-4:Si-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:O-2:	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(SiC3)(CC3)	C[6](C[6]C[6a]C[6])(C[6]Si[6]SiC)(H)2	Si[6](C[6]C[6]SiC)(C[6]C[6]HH)(SiC3)(OSi)	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(SiC3)(CC3){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]Si[6]SiC)(H)2{1|Si<4>,1|C<4>,1|O<2>,3|C<3>}	Si[6](C[6]C[6]SiC)(C[6]C[6]HH)(SiC3)(OSi){2|C<3>,2|H<1>}	103.1290	0.000	1	103.1290	0.000	1	103.1290	0.000	1	103.1290	0.000	1	112.2880	18.137	53	111.5024	16.327	79
466	466	658	6:SP3_SP3_SP3	C[6]	C[6]	Si[6]	4:4:4:4:	4:4:1:1:	4:3:4:4:	C[6]-4:Si[6]-4:C-4:C-4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6]Si[6]HH)(Si[6]C[6]CC)(CH3)2	C[6](Si[6]C[6]SiH)(C[6]Si[6]CC)(H)2	Si[6](C[6]C[6]CC)(C[6]C[6]C)(CC3)2	C[6](C[6]Si[6]HH)(Si[6]C[6]CC)(CH3)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](Si[6]C[6]SiH)(C[6]Si[6]CC)(H)2{1|C<3>,3|C<4>}	Si[6](C[6]C[6]CC)(C[6]C[6]C)(CC3)2{1|Si<4>,1|C<4>,2|H<1>}	109.1440	0.000	1	109.1440	0.000	1	109.1440	0.000	1	109.1440	0.000	1	112.2880	18.137	53	111.5024	16.327	79
466	466	679	0:SP3_SP3_SP3	C[6]	C[6]	B[5a]	4:4:4:1:	4:4:1:1:	3:3:4:3:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:C[6]-3:	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2)	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,4|C<4>,4|H<1>}	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2){1|N<3>,5|C<4>,8|H<1>}	115.4880	1.426	2	115.4880	2.032	2	115.4880	2.032	2	115.4880	2.032	2	114.0503	3.827	22	114.0503	3.827	22
466	466	679	0:SP3_SP3_SP3	C[6]	C[6]	B[5a]	4:4:4:1:	4:4:1:1:	3:3:4:4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5,5a]-3:N[5a]-3:C[6]-4:C[6]-4:	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]N)(C[6]C[6]2H)2	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|N<2>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]N)(C[6]C[6]2H)2{1|C<3>,1|N<2>,6|C<4>,9|H<1>}	115.3400	1.770	4	115.3400	3.132	4	114.8561	2.139	8	114.7220	1.746	12	114.0503	3.827	22	114.0503	3.827	22
466	466	679	0:SP3_SP3_SP3	C[6]	C[6]	B[5a]	4:4:4:1:	4:4:1:1:	3:3:4:4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5,5a]-3:N[5a]-3:C[6]-4:C[6]-4:	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	B[5a](N[5,5a]N[5,5a]N[5])(N[5a]B[5a]N)(C[6]C[6]2H)2	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|N<3>,2|N<2>,3|C<4>,5|H<1>}	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	B[5a](N[5,5a]N[5,5a]N[5])(N[5a]B[5a]N)(C[6]C[6]2H)2{2|C<3>,6|C<4>,8|H<1>}	114.3722	1.112	4	114.3722	1.236	4	114.8561	2.139	8	114.7220	1.746	12	114.0503	3.827	22	114.0503	3.827	22
466	466	679	0:SP3_SP3_SP3	C[6]	C[6]	B[5a]	4:4:4:1:	4:4:1:1:	3:3:4:4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	B[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)2	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	B[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)2{1|N<3>,2|C<3>,5|C<4>,8|H<1>}	114.4537	1.126	4	114.4537	1.268	4	114.4537	1.268	4	114.7220	1.746	12	114.0503	3.827	22	114.0503	3.827	22
466	466	679	0:SP3_SP3_SP3	C[6]	C[6]	B[5a]	4:4:4:1:	4:4:1:1:	3:4:4:2:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5,5a]-3:C[6]-4:C[6]-4:O[5a]-2:	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	B[5a](N[5,5a]C[5,5a]N[5])(C[6]C[6]2H)2(O[5a]C[5a])	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	B[5a](N[5,5a]C[5,5a]N[5])(C[6]C[6]2H)2(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<2>,4|C<4>,8|H<1>}	112.6834	2.224	8	112.6834	4.947	8	112.6834	4.947	8	112.6834	4.947	8	114.0503	3.827	22	114.0503	3.827	22
466	466	679	6:SP3_SP3_SP3	C[6,6]	C[6]	B[5a,6,6]	4:4:4:1:	4:4:1:1:	3:3:4:4:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[6,6]-4:C[6,6]-4:	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	109.5370	0.475	28	109.5370	0.226	28	109.5370	0.226	28	109.5370	0.226	28	109.5487	0.225	32	109.5487	0.225	32
466	466	679	6:SP3_SP3_SP3	C[6,6]	C[6]	B[5a,6,6]	4:4:4:1:	4:4:1:1:	3:4:4:3:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[5a]-3:	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	B[5a,6,6](N[5a]C[5a]C[6a])(C[6,6]C[6]2H)2(C[5a]N[5a]N)	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	B[5a,6,6](N[5a]C[5a]C[6a])(C[6,6]C[6]2H)2(C[5a]N[5a]N){1|N<3>,2|C<3>,3|C<4>,8|H<1>}	109.6305	0.531	4	109.6305	0.282	4	109.6305	0.282	4	109.6305	0.282	4	109.5487	0.225	32	109.5487	0.225	32
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	110.4310	0.000	1	110.8110	0.303	3	111.9104	2.518	8	111.9104	2.518	8	111.9104	2.518	8	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	111.0010	0.624	2	110.8110	0.303	3	111.9104	2.518	8	111.9104	2.518	8	111.9104	2.518	8	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	111.2630	0.000	1	112.5700	2.804	5	111.9104	2.518	8	111.9104	2.518	8	111.9104	2.518	8	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	110.9860	0.000	1	112.5700	2.804	5	111.9104	2.518	8	111.9104	2.518	8	111.9104	2.518	8	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	114.4040	0.000	1	112.5700	2.804	5	111.9104	2.518	8	111.9104	2.518	8	111.9104	2.518	8	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	114.3390	0.000	1	112.5700	2.804	5	111.9104	2.518	8	111.9104	2.518	8	111.9104	2.518	8	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	111.8580	0.000	1	112.5700	2.804	5	111.9104	2.518	8	111.9104	2.518	8	111.9104	2.518	8	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[5a,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a]N[5a,6]C[5a])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[3x6]C[6,6]3)(C[5a]C[5a]H)	C[3x6](C[5a]N[5a,6]C[5a])(C[6,6]C[3x6]HH)3{1|B<4>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[3x6]C[6,6]3)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,3|C<4>,7|H<1>}	110.7278	1.636	12	110.7278	2.677	12	110.7278	2.677	12	110.7278	2.677	12	110.5135	1.597	84	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a]	3:4:4:4:	4:4:1:1:	4:2:2:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5a]-2:O[5a]-2:	C[3x6](C[5a]N[5a]O[5a])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[5a](C[3x6]C[6,6]3)(N[5a]N[5a])(O[5a]C[5a])	C[3x6](C[5a]N[5a]O[5a])(C[6,6]C[3x6]HH)3{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|O<2>,2|C<4>,8|H<1>}	C[5a](C[3x6]C[6,6]3)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,3|C<4>,6|H<1>}	109.8344	1.611	9	109.8344	2.595	9	109.8344	2.595	9	110.1168	1.247	24	110.5135	1.597	84	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a]	3:4:4:4:	4:4:1:1:	4:2:2:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5a]-2:S[5a]-2:	C[3x6](C[5a]N[5a]S[5a])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[5a](C[3x6]C[6,6]3)(N[5a]N[5a,5a])(S[5a]C[5a,5a])	C[3x6](C[5a]N[5a]S[5a])(C[6,6]C[3x6]HH)3{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|S<2>,2|C<4>,8|H<1>}	C[5a](C[3x6]C[6,6]3)(N[5a]N[5a,5a])(S[5a]C[5a,5a]){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	110.0217	1.039	3	110.0217	1.080	3	110.2863	0.484	15	110.1168	1.247	24	110.5135	1.597	84	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a]	3:4:4:4:	4:4:1:1:	4:2:2:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5a]-2:S[5a]-2:	C[3x6](C[5a]N[5a]S[5a])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[5a](C[3x6]C[6,6]3)(N[5a]N[5a])(S[5a]C[5a])	C[3x6](C[5a]N[5a]S[5a])(C[6,6]C[3x6]HH)3{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|S<2>,2|C<4>,8|H<1>}	C[5a](C[3x6]C[6,6]3)(N[5a]N[5a])(S[5a]C[5a]){1|N<3>,3|C<4>,6|H<1>}	110.3524	0.629	12	110.3524	0.396	12	110.2863	0.484	15	110.1168	1.247	24	110.5135	1.597	84	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a]	3:4:4:4:	4:4:1:1:	4:3:2:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:N[5a]-2:	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[5a](C[3x6]C[6,6]3)(C[5a]C[5a]H)(N[5a]N[5a])	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[5a](C[3x6]C[6,6]3)(C[5a]C[5a]H)(N[5a]N[5a]){1|B<4>,4|C<4>,6|H<1>}	110.4942	0.904	9	110.4942	0.817	9	110.4942	0.817	9	110.4942	0.817	9	110.5135	1.597	84	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5a]-3:C[5a]-3:	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[5a](C[3x6]C[6,6]3)(N[5a]C[5a]Cr)(C[5a]C[5a]H)	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|Cr<4>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[5a](C[3x6]C[6,6]3)(N[5a]C[5a]Cr)(C[5a]C[5a]H){1|C<3>,3|C<4>,7|H<1>}	110.7372	2.716	6	110.7372	7.374	6	110.6912	1.498	36	110.6912	1.498	36	110.5135	1.597	84	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5a]-3:C[5a]-3:	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[5a](C[3x6]C[6,6]3)(N[5a]C[5a]Fe)(C[5a]C[5a]H)	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|Fe<4>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[5a](C[3x6]C[6,6]3)(N[5a]C[5a]Fe)(C[5a]C[5a]H){1|C<3>,3|C<4>,7|H<1>}	110.9103	0.695	6	110.9103	0.483	6	110.6912	1.498	36	110.6912	1.498	36	110.5135	1.597	84	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5a]-3:C[5a]-3:	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[5a](C[3x6]C[6,6]3)(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|Ni<3>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[5a](C[3x6]C[6,6]3)(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<3>,3|C<4>,7|H<1>}	110.5874	0.738	18	110.6250	0.553	24	110.6912	1.498	36	110.6912	1.498	36	110.5135	1.597	84	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5a]-3:C[5a]-3:	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[5a](C[3x6]C[6,6]3)(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|Ni<5>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[5a](C[3x6]C[6,6]3)(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<3>,3|C<4>,7|H<1>}	110.7375	0.821	6	110.6250	0.553	24	110.6912	1.498	36	110.6912	1.498	36	110.5135	1.597	84	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a]	4:4:4:3:	4:4:1:1:	4:3:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5a]-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5a]-3:N[5a]-2:	C[3x6](C[6,6]C[3x6]HH)3(C[5a]N[5a]2)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[5a](C[3x6]C[6,6]3)(N[5a]C[5a]C)(N[5a]N[5a])	C[3x6](C[6,6]C[3x6]HH)3(C[5a]N[5a]2){1|C<3>,1|N<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[5a](C[3x6]C[6,6]3)(N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>,3|C<4>,6|H<1>}	110.7547	2.212	3	110.7547	4.892	3	110.7547	4.892	3	110.7547	4.892	3	110.5135	1.597	84	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[3x6]	C[6]	C[5a,6]	4:3:3:4:	4:4:1:1:	4:3:3:	C[3x6]-4:C[5a,6]-3:C[6,6,6a]-3:C[6]-4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[5a,6]-3:C[5a]-3:	C[3x6](C[3x6]C[6,6,6a]C[5a,6]C[6])(C[5a,6]C[5a,6]C[5a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[3x6]C[6,6,6a]C[5a,6]C[3x6])(C[6]C[6]HH)(H)2	C[5a,6](C[3x6]C[6,6,6a]C[3x6]C[6])(C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)	C[3x6](C[3x6]C[6,6,6a]C[5a,6]C[6])(C[5a,6]C[5a,6]C[5a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){1|S<2>,2|C<4>,5|H<1>,7|C<3>}	C[6](C[3x6]C[6,6,6a]C[5a,6]C[3x6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[3x6]C[6,6,6a]C[3x6]C[6])(C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H){2|C<4>,3|H<1>,5|C<3>}	108.0240	0.170	2	108.0240	0.029	2	108.0240	0.029	2	108.0240	0.029	2	108.0240	0.029	2	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5a]-3:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]H)(C[5a]N[5a]H)	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]H)(C[5a]N[5a]H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	113.4700	0.000	1	113.4700	0.000	1	113.4700	0.000	1	113.4700	0.000	1	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	3:4:4:4:	4:3:3:1:	3:4:3:	C[5a]-3:C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]C)(C[5a]N[5a]H)	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]C)(C[5a]N[5a]H){1|C<4>,4|H<1>,5|C<3>}	110.1100	0.399	2	110.1100	0.159	2	110.1100	0.159	2	110.1100	0.159	2	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,2|H<1>,6|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.6957	0.231	3	113.6957	0.053	3	112.5468	1.610	8	112.5468	1.610	8	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){1|C<2>,2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.7925	0.797	2	112.2378	0.645	4	112.5468	1.610	8	112.5468	1.610	8	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.1860	0.000	1	112.2378	0.645	4	112.5468	1.610	8	112.5468	1.610	8	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	112.1800	0.000	1	112.2378	0.645	4	112.5468	1.610	8	112.5468	1.610	8	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	110.3360	0.000	1	110.3360	0.000	1	112.5468	1.610	8	112.5468	1.610	8	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	110.7430	0.000	1	110.7430	0.000	1	110.7430	0.000	1	110.7430	0.000	1	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	4:3:4:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[3x6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[3x6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[3x6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|H<1>,3|C<4>,4|C<3>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.4980	0.000	1	111.4980	0.000	1	111.4980	0.000	1	111.4125	0.015	2	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	4:3:4:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|H<1>,3|C<3>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.3270	0.000	1	111.3270	0.000	1	111.3270	0.000	1	111.4125	0.015	2	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|C<3>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	112.4535	1.414	2	111.5530	3.432	3	111.5530	3.432	3	111.9302	2.018	5	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|C<3>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	109.7520	0.000	1	111.5530	3.432	3	111.5530	3.432	3	111.9302	2.018	5	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:N[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){3|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	112.4960	0.378	2	112.4960	0.143	2	112.4960	0.143	2	111.9302	2.018	5	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	4:3:4:3:	4:4:4:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|C<3>,4|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|H<1>,3|C<3>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.3510	0.000	1	113.3510	0.000	1	113.3510	0.000	1	113.3510	0.000	1	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|C<3>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.1900	0.000	1	111.1900	0.000	1	111.1900	0.000	1	111.1900	0.000	1	112.0327	1.751	22	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5a,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H)	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	117.7680	0.000	1	116.6863	0.921	3	116.6863	0.921	3	116.6863	0.921	3	116.6863	0.921	3	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5a,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H)	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	116.1455	0.293	2	116.6863	0.921	3	116.6863	0.921	3	116.6863	0.921	3	116.6863	0.921	3	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[3x6]-3:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	113.7750	0.000	1	113.7750	0.000	1	113.7750	0.000	1	113.7750	0.000	1	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	3:4:2:2:	4:4:1:1:	4:3:2:	C[5a]-3:C[6,6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:S[5a]-2:	C[6,6](C[5a]C[5a]S[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6,6])	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[5a]O[6]2)(H)2	C[5a](C[6,6]C[6,6]O[6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6,6](C[5a]C[5a]S[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6,6]){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[5a]O[6]2)(H)2{1|S<2>,5|C<3>}	C[5a](C[6,6]C[6,6]O[6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	114.1750	0.000	1	114.1750	0.000	1	114.1750	0.000	1	114.1750	0.000	1	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	3:4:3:2:	4:4:4:4:	4:3:2:	C[5a]-3:C[6,6]-4:N[6]-3:O[6]-2:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[5a]-3:O[5a]-2:	C[6,6](C[5a]C[5a]O[5a])(C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(O[6]C[6,6a])	C[6,6](C[6,6]C[5a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2	C[5a](C[6,6]C[6,6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[6,6](C[5a]C[5a]O[5a])(C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(O[6]C[6,6a]){2|H<1>,6|C<3>}	C[6,6](C[6,6]C[5a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2{1|H<1>,1|O<2>,5|C<3>}	C[5a](C[6,6]C[6,6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	115.0040	0.000	1	115.0040	0.000	1	115.0040	0.000	1	115.0040	0.000	1	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5a]-3:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2C)(CHO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]H)(C[5a]N[5a]H)	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2C)(CHO)(H){1|C<4>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]H)(C[5a]N[5a]H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	112.3010	0.000	1	112.3010	0.000	1	112.3010	0.000	1	112.3010	0.000	1	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5a]-3:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]C)(C[5a]N[5a]H)	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2{1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]C)(C[5a]N[5a]H){1|C<4>,4|H<1>,5|C<3>}	110.5025	0.647	2	110.5025	0.419	2	110.5025	0.419	2	110.5025	0.419	2	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,2|H<1>,6|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	112.5400	1.378	3	112.5400	1.900	3	113.7089	3.104	9	113.7089	3.104	9	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){1|C<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.5300	0.877	2	114.4254	3.589	5	113.7089	3.104	9	113.7089	3.104	9	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	117.5640	0.000	1	114.4254	3.589	5	113.7089	3.104	9	113.7089	3.104	9	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.5340	0.000	1	114.4254	3.589	5	113.7089	3.104	9	113.7089	3.104	9	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	112.9690	0.000	1	114.4254	3.589	5	113.7089	3.104	9	113.7089	3.104	9	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.6330	0.000	1	113.6330	0.000	1	113.7089	3.104	9	113.7089	3.104	9	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[3x6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[3x6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	110.3090	0.000	1	110.3090	0.000	1	110.3090	0.000	1	112.1985	1.985	8	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	112.0700	2.662	2	112.4684	1.636	7	112.4684	1.636	7	112.1985	1.985	8	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.6940	0.000	1	112.4684	1.636	7	112.4684	1.636	7	112.1985	1.985	8	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	111.5940	0.000	1	112.4684	1.636	7	112.4684	1.636	7	112.1985	1.985	8	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,5|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	112.6970	0.000	1	112.4684	1.636	7	112.4684	1.636	7	112.1985	1.985	8	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,2|C<3>,4|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	112.5770	0.267	2	112.4684	1.636	7	112.4684	1.636	7	112.1985	1.985	8	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	4:3:4:3:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a]C[6]2)(C[6]C[6]HH)(CH3)	C[5a](C[6,6]C[6,6]C[6]2)(C[5a]C[5a]H)(C[5a]S[5a]S)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|S<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[5a](C[6,6]C[6,6]C[6]2)(C[5a]C[5a]H)(C[5a]S[5a]S){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	112.3450	0.000	1	112.3450	0.000	1	112.3450	0.000	1	112.3450	0.000	1	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.2260	0.000	1	110.4535	1.194	2	110.4535	1.194	2	110.4535	1.194	2	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,4|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	109.6810	0.000	1	110.4535	1.194	2	110.4535	1.194	2	110.4535	1.194	2	112.7108	3.207	26	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:2:4:4:	4:4:1:1:	3:4:2:	C[5a,6]-3:O[6]-2:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:S[5a]-2:	C[6,6](C[5a,6]C[5a,6]S[5a])(O[6]C[6,6a])(C[6]C[6]HH)2	C[6](C[6,6]C[5a,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6]2O[6])(S[5a]C[5a])	C[6,6](C[5a,6]C[5a,6]S[5a])(O[6]C[6,6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5a,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6]2O[6])(S[5a]C[5a]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	112.7990	0.949	2	112.7990	0.900	2	112.7990	0.900	2	112.7990	0.900	2	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<4>,3|C<3>,4|H<1>}	111.7130	0.000	1	111.7130	0.000	1	112.9202	1.890	5	112.7587	1.668	6	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,4|C<3>,4|H<1>}	111.9650	0.000	1	111.9650	0.000	1	112.9202	1.890	5	112.7587	1.668	6	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>,4|H<1>}	114.2475	1.193	2	114.2475	1.423	2	112.9202	1.890	5	112.7587	1.668	6	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){2|C<4>,3|C<3>,4|H<1>}	112.4280	0.000	1	112.4280	0.000	1	112.9202	1.890	5	112.7587	1.668	6	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.9510	0.000	1	111.9510	0.000	1	111.9510	0.000	1	112.7587	1.668	6	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:3:3:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.8310	0.000	1	113.8310	0.000	1	113.8310	0.000	1	113.8310	0.000	1	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]H)(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,3|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>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,2|C<4>,5|H<1>}	110.0610	0.000	1	110.0610	0.000	1	110.0610	0.000	1	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	110.6985	0.216	2	110.8667	0.108	3	110.8667	0.108	3	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	111.2030	0.000	1	110.8667	0.108	3	110.8667	0.108	3	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	112.0875	1.033	2	113.1520	3.933	3	113.0625	2.536	21	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	115.2810	0.000	1	113.1520	3.933	3	113.0625	2.536	21	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	111.4580	0.000	2	111.4580	0.000	2	113.0625	2.536	21	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	112.0240	1.871	2	112.0240	3.501	2	113.0625	2.536	21	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,2|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<4>,3|C<3>,4|H<1>}	110.7160	0.000	1	110.7160	0.000	1	113.0625	2.536	21	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	113.3500	0.000	1	113.3500	0.000	1	113.0625	2.536	21	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	111.7175	1.873	2	113.0163	2.485	7	113.0625	2.536	21	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	115.3470	0.000	1	113.0163	2.485	7	113.0625	2.536	21	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	112.7070	0.000	1	113.0163	2.485	7	113.0625	2.536	21	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	112.5945	0.354	2	113.0163	2.485	7	113.0625	2.536	21	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	114.4360	0.000	1	113.0163	2.485	7	113.0625	2.536	21	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	114.7900	0.492	2	114.5426	0.140	5	113.0625	2.536	21	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	114.3777	0.239	3	114.5426	0.140	5	113.0625	2.536	21	112.6790	2.947	25	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5a,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){1|C<4>,2|H<1>,5|C<3>}	115.2980	0.000	1	115.2980	0.000	1	115.2980	0.000	1	115.2980	0.000	1	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:2:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.0070	0.348	2	114.0070	0.121	2	114.0070	0.121	2	114.0070	0.121	2	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	115.4200	0.000	1	115.4200	0.000	1	115.4200	0.000	1	115.4200	0.000	1	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	C[5a,6](C[6,6]N[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[6,6]N[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,3|C<4>,5|H<1>}	111.6400	0.000	1	111.6400	0.000	1	111.6400	0.000	1	111.6400	0.000	1	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	115.3300	0.000	1	115.3300	0.000	1	115.4417	0.537	4	115.4417	0.537	4	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	115.5895	1.234	2	115.5895	1.523	2	115.4417	0.537	4	115.4417	0.537	4	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(CCHH)(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	115.2580	0.000	1	115.2580	0.000	1	115.4417	0.537	4	115.4417	0.537	4	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:4:2:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	113.7760	0.000	1	115.0215	3.103	2	115.0215	3.103	2	115.0215	3.103	2	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:1:	4:4:4:2:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	116.2670	0.000	1	115.0215	3.103	2	115.0215	3.103	2	115.0215	3.103	2	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:3:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]C[6]HH)(COO){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	111.3710	0.000	1	111.3710	0.000	1	111.3710	0.000	1	111.3710	0.000	1	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:4:	4:3:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.6273	2.796	4	109.6273	7.816	4	109.6273	7.816	4	109.6273	7.816	4	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)2	C[6](C[6,6]C[5a,6]2C[6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[5a,6]C[6]2)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)2{1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[5a,6]C[6]2)(N[5a]C[5a,6a]H){4|C<3>,4|C<4>,4|H<1>}	111.0655	0.333	2	111.0655	0.111	2	111.0655	0.111	2	109.6892	1.495	6	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)2	C[6](C[6,6]C[5a,6]2C[6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5a,6]C[6]2)(C[5a,6]C[6,6]N[5a])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)2{1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5a,6]C[6]2)(C[5a,6]C[6,6]N[5a]){1|N<3>,3|C<3>,4|C<4>,6|H<1>}	108.4910	0.607	2	108.4910	0.368	2	108.4910	0.368	2	109.6892	1.495	6	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	109.1410	0.000	1	109.1410	0.000	1	109.5110	0.274	2	109.6892	1.495	6	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	109.8810	0.000	1	109.8810	0.000	1	109.5110	0.274	2	109.6892	1.495	6	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:4:	4:4:3:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)(CC[5a]O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)(CC[5a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	110.8680	0.000	1	110.8680	0.000	1	110.3514	1.586	5	110.3514	1.586	5	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:4:	4:4:3:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	111.1670	0.000	1	111.1670	0.000	1	110.3514	1.586	5	110.3514	1.586	5	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:4:	4:4:3:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[6a]O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	110.7410	0.000	1	110.7410	0.000	1	110.3514	1.586	5	110.3514	1.586	5	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:4:	4:4:3:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	108.1160	0.000	1	108.1160	0.000	1	110.3514	1.586	5	110.3514	1.586	5	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:4:	4:4:3:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	110.8650	0.000	1	110.8650	0.000	1	110.3514	1.586	5	110.3514	1.586	5	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:3:1:	4:3:1:1:	3:4:3:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<4>,3|C<3>,4|H<1>}	115.0100	0.000	1	115.0100	0.000	1	115.0100	0.000	1	112.4140	13.478	2	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:3:1:	4:3:1:1:	3:4:3:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[5,6]C[5,5,6]C[5])(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(N[5,6]C[5,5,6]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.8180	0.000	1	109.8180	0.000	1	109.8180	0.000	1	112.4140	13.478	2	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[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>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	112.1640	0.000	1	112.1640	0.000	1	111.4523	0.872	3	113.5748	5.876	13	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](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>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	111.0965	0.992	2	111.0965	0.984	2	111.4523	0.872	3	113.5748	5.876	13	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|S<4>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<4>,3|C<3>,4|H<1>}	110.6380	0.000	1	110.6380	0.000	1	114.2116	5.689	10	113.5748	5.876	13	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	113.9320	0.344	2	113.8187	2.209	7	114.2116	5.689	10	113.5748	5.876	13	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	114.7620	0.000	1	113.8187	2.209	7	114.2116	5.689	10	113.5748	5.876	13	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	116.3790	0.000	1	113.8187	2.209	7	114.2116	5.689	10	113.5748	5.876	13	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	113.3740	0.000	1	113.8187	2.209	7	114.2116	5.689	10	113.5748	5.876	13	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	112.1760	0.262	2	113.8187	2.209	7	114.2116	5.689	10	113.5748	5.876	13	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){2|C<3>,3|C<4>,4|H<1>}	117.3735	2.024	2	117.3735	4.098	2	114.2116	5.689	10	113.5748	5.876	13	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:1:	3:4:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5a,6]C[6,6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5a,6]C[6,6]H)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,3|C<3>,6|H<1>}	112.6800	0.792	4	112.6800	0.627	4	112.6800	0.627	4	112.6800	0.627	4	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:1:	4:2:1:1:	3:4:3:	C[5a,6]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(H)	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]H)(C[5a]C[5a,6a]C)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]H)(C[5a]C[5a,6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	106.6430	0.000	1	106.6430	0.000	1	106.6430	0.000	1	108.7090	8.537	2	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:1:	4:2:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]CH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(O[6]C[6])(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[5a]C[5a,6a]C)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[5a,6]C[6,6]H)(O[6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	108.7090	8.537	2	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:1:	4:3:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	112.9080	0.465	2	112.9080	0.216	2	112.9080	0.216	2	112.9080	0.216	2	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:1:	4:3:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CH3)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6]){3|C<3>,3|C<4>,6|H<1>}	108.9900	0.000	1	108.9900	0.000	1	108.9900	0.000	1	108.9900	0.000	1	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	113.6200	0.000	1	113.6200	0.000	1	113.6200	0.000	1	113.6200	0.000	1	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H){2|C<4>,3|C<3>,6|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>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	113.8765	0.309	2	113.8765	0.095	2	113.8765	0.095	2	114.8672	1.165	5	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,5|H<1>}	116.4030	0.000	1	116.4030	0.000	1	116.4030	0.000	1	114.8672	1.165	5	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,5|H<1>}	115.0900	0.380	2	115.0900	0.145	2	115.0900	0.145	2	114.8672	1.165	5	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,5|C<4>}	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){4|C<4>,5|H<1>}	115.7710	0.000	1	115.7710	0.000	1	115.7710	0.000	1	115.7710	0.000	1	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6,6a]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCO)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|N<3>,2|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C){3|C<3>,3|C<4>,3|H<1>}	112.3365	0.128	2	112.3365	0.016	2	112.3365	0.016	2	112.3365	0.016	2	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:1:	4:4:3:2:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-2:	C[5a,6,6a]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CC)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CC)(H){1|N<3>,2|H<1>,4|C<3>,4|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C){1|C<2>,2|H<1>,3|C<3>,3|C<4>}	111.3610	0.000	1	111.3610	0.000	1	111.3610	0.000	1	111.3610	0.000	1	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:1:	4:4:4:4:	3:4:2:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6,6]-4:O[5a]-2:	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(O[5a]C[5a,6a])	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(O[5a]C[5a,6a]){2|C<3>,3|H<1>,5|C<4>}	117.5940	0.294	6	117.5940	0.086	6	117.5940	0.086	6	117.5940	0.086	6	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:2:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-2:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(N[5a]N[5a])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(N[5a]N[5a]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1	111.6493	1.684	3	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:2:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:C[6]-4:N[6]-2:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6,6]-4:N[5a]-2:	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6])	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a])	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|N<2>,4|H<1>}	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a]){1|C<3>,4|C<4>,4|H<1>}	111.0260	1.018	2	111.0260	1.037	2	111.0260	1.037	2	111.6493	1.684	3	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:2:	4:4:1:1:	4:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,2|N<2>,6|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a]){3|C<3>,3|C<4>,4|H<1>}	112.1630	0.904	2	111.9847	0.504	3	111.9847	0.504	3	111.9847	0.504	3	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:2:	4:4:1:1:	4:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a]){3|C<3>,3|C<4>,4|H<1>}	111.6280	0.000	1	111.9847	0.504	3	111.9847	0.504	3	111.9847	0.504	3	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:3:	4:2:1:1:	3:4:3:	C[5a,6]-3:C[3x6]-4:C[6]-4:C-3:	C[6,6]-4:O[6]-2:H-1:H-1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(COO)	C[6](C[6,6]C[5a,6]C[3x6]C)(O[6]C[6])(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]C)(C[5a]C[5a,6a]C)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(COO){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5a,6]C[3x6]C)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]C)(C[5a]C[5a,6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:3:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6,6]-4:N[5a]-2:	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H)	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a])	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H){1|O<1>,2|C<4>,2|N<2>,4|H<1>}	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a]){2|C<3>,2|C<4>,6|H<1>}	111.6365	0.402	2	111.6365	0.162	2	110.8090	1.247	10	110.8090	1.247	10	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:3:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6,6]-4:N[5a]-2:	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H)	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a])	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|N<2>,4|H<1>}	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a]){1|C<3>,4|C<4>,5|H<1>}	110.6021	1.155	8	110.6021	1.335	8	110.8090	1.247	10	110.8090	1.247	10	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:4:	4:3:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	106.8850	0.000	1	106.8850	0.000	1	106.8850	0.000	1	106.8850	0.000	1	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C){2|C<4>,3|H<1>,5|C<3>}	115.1760	0.000	1	115.1760	0.000	1	115.1760	0.000	1	115.1760	0.000	1	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:4:	4:4:1:1:	4:3:2:	C[5a,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a,6]-3:S[5a]-2:	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)	C[6](C[6,6]C[5a,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5a,6](C[6,6]C[6,6]C[5]C[6])(C[5a,6]C[5,6]C[5a])(S[5a]C[5a])	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>}	C[6](C[6,6]C[5a,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[6,6]C[6,6]C[5]C[6])(C[5a,6]C[5,6]C[5a])(S[5a]C[5a]){2|C<3>,4|C<4>,7|H<1>}	110.6790	0.000	1	110.6790	0.000	1	110.6790	0.000	1	110.6790	0.000	1	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]N[5,6]HH)(H)2	C[5a,6](C[6,6]C[6,6]C[6]C)(C[5a,6]S[5a]C[6])(C[5a]C[5a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|S<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[6,6]C[6,6]C[6]C)(C[5a,6]S[5a]C[6])(C[5a]C[5a]H){1|Cl<1>,3|C<4>,5|H<1>}	111.5200	0.885	2	111.5200	0.784	2	111.5200	0.784	2	111.5200	0.784	2	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	4:3:4:1:	4:3:1:1:	3:4:3:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[5a,6]N[5a]C[6])	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	117.1130	0.000	1	115.0185	8.774	2	115.0185	8.774	2	115.0185	8.774	2	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	4:3:4:1:	4:3:1:1:	3:4:3:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[5a,6]N[5a]C[6])	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	112.9240	0.000	1	115.0185	8.774	2	115.0185	8.774	2	115.0185	8.774	2	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	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)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]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){1|N<4>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,5|H<1>}	111.1300	0.000	1	111.1300	0.000	1	111.1300	0.000	1	111.1300	0.000	1	112.6044	6.310	126	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[6,6]-4:C[5a]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6,6]HH)(H)2	C[5a](C[6,6]C[6,6]C[6]2)(C[5a]C[5a]H)(C[5a]S[5a]S)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|S<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5a](C[6,6]C[6,6]C[6]2)(C[5a]C[5a]H)(C[5a]S[5a]S){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	107.7740	0.000	1	107.7740	0.000	1	107.7740	0.000	1	107.7740	0.000	1	107.7740	0.000	1	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	3:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3x6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	115.1090	0.000	1	115.1090	0.000	1	115.1090	0.000	1	116.0008	0.438	14	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	3:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,5,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	116.2790	0.000	1	116.2790	0.000	1	116.0694	0.403	13	116.0008	0.438	14	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	3:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	116.3295	0.512	4	116.0071	0.459	10	116.0694	0.403	13	116.0008	0.438	14	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	3:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	116.8500	0.000	1	116.0071	0.459	10	116.0694	0.403	13	116.0008	0.438	14	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	3:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	115.5806	0.571	5	116.0071	0.459	10	116.0694	0.403	13	116.0008	0.438	14	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	3:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|H<1>,5|C<3>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	116.2760	0.733	2	116.2760	0.537	2	116.0694	0.403	13	116.0008	0.438	14	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	4:3:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	115.9650	0.517	5	115.6811	0.428	7	115.6811	0.428	7	115.6811	0.428	7	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	4:3:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	114.9715	0.296	2	115.6811	0.428	7	115.6811	0.428	7	115.6811	0.428	7	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	114.3393	0.846	3	115.1975	0.742	8	115.2998	0.655	13	115.5612	0.817	25	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	115.7124	0.239	5	115.1975	0.742	8	115.2998	0.655	13	115.5612	0.817	25	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	115.5430	0.000	1	115.5430	0.000	1	115.2998	0.655	13	115.5612	0.817	25	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	115.4437	0.902	4	115.4437	0.814	4	115.2998	0.655	13	115.5612	0.817	25	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	115.0970	0.000	1	115.7930	0.969	2	115.7930	0.969	2	115.5612	0.817	25	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,4|C<3>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	116.4890	0.000	1	115.7930	0.969	2	115.7930	0.969	2	115.5612	0.817	25	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	116.3783	0.398	3	116.3783	0.158	3	115.8546	0.991	10	115.5612	0.817	25	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	116.2710	0.000	1	116.2710	0.000	1	115.8546	0.991	10	115.5612	0.817	25	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	114.8490	0.000	1	114.8490	0.000	1	115.8546	0.991	10	115.5612	0.817	25	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	115.3615	0.569	2	115.3615	0.324	2	115.8546	0.991	10	115.5612	0.817	25	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	117.8140	0.000	1	117.8140	0.000	1	115.8546	0.991	10	115.5612	0.817	25	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	115.0030	0.000	1	114.8770	0.032	2	115.8546	0.991	10	115.5612	0.817	25	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	114.7510	0.000	1	114.8770	0.032	2	115.8546	0.991	10	115.5612	0.817	25	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:3:1:	4:4:2:1:	4:3:2:	C[6,6]-4:C[5a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[5a]C[6]H)(O[6]C[6])(H)	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[5a]C[6]H)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	114.9330	0.000	1	114.9330	0.000	1	114.9330	0.000	1	114.9330	0.000	1	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:4:1:	4:3:2:1:	4:3:2:	C[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:4:3:	4:3:3:1:	4:3:3:	C[6,6]-4:C[5a]-3:C[6]-4:C-3:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO)	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO){3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	109.1916	0.520	5	109.6780	1.636	6	109.6780	1.636	6	109.6780	1.636	6	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:4:3:	4:3:3:1:	4:3:3:	C[6,6]-4:C[5a]-3:C[6]-4:C-3:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO)	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	112.1100	0.000	1	109.6780	1.636	6	109.6780	1.636	6	109.6780	1.636	6	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:4:4:	4:4:4:1:	4:2:2:	C[6,6]-4:C[5a]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[5a]-2:S[5a]-2:	C[6](C[6,6]C[6,6]C[6]H)(C[5a]N[5a]S[5a])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)	C[5a](C[6]C[6,6]C[6]C)(N[5a]N[5a])(S[5a]C[5a])	C[6](C[6,6]C[6,6]C[6]H)(C[5a]N[5a]S[5a])(C[6]C[6]HH)(CH3){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[5a]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,6|H<1>}	C[5a](C[6]C[6,6]C[6]C)(N[5a]N[5a])(S[5a]C[5a]){1|N<3>,3|C<4>,3|H<1>}	108.3465	0.029	2	108.3465	0.001	2	108.3465	0.001	2	108.3465	0.001	2	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:3:4:4:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5a]-3:C[6]-4:C-4:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3)	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,2|C<3>,5|C<4>}	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6,6]	C[5a]	4:4:3:1:	4:4:2:1:	4:3:2:	C[5,6]-4:C[6,6]-4:C[5a]-3:H-1:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H)	C[6,6](C[6]C[5,6]C[5a]H)(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[5a](C[6]C[5,6]C[6,6]H)(C[5a]C[5a]N)(O[5a]N[5a])	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|N<3>,7|C<3>}	C[6,6](C[6]C[5,6]C[5a]H)(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5a](C[6]C[5,6]C[6,6]H)(C[5a]C[5a]N)(O[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	109.0823	0.626	3	109.0823	0.391	3	109.0823	0.391	3	109.0823	0.391	3	114.3666	7.403	60	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:2:4:1:	4:2:3:1:	4:3:2:	C[5a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]O[6]CH)(H)	C[6](C[6]C[5a]O[6]H)(O[6]C[6,6a])(CNO)(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]O[6]CH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[5a]O[6]H)(O[6]C[6,6a])(CNO)(H){1|S<2>,3|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	114.3250	0.000	1	114.3250	0.000	1	114.3250	0.000	1	114.3250	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:2:4:4:	4:4:3:1:	3:4:3:	C[5a]-3:S[6]-2:C[6]-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a]C[5a,6a]C[5a])(S[6]C[6,6a])(C[6]C[6]CH)(CF3)	C[6](C[6]C[5a]S[6]C)(C[6]C[6,6a]HO)(CC[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]S[6]C)(C[5a]N[5a]H)	C[6](C[5a]C[5a,6a]C[5a])(S[6]C[6,6a])(C[6]C[6]CH)(CF3){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]S[6]C)(C[6]C[6,6a]HO)(CC[6a]O)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]S[6]C)(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	115.3275	0.443	2	115.3275	0.197	2	115.3275	0.197	2	115.3275	0.197	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:3:1:1:	4:3:2:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]O[6]O)(H)2	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]C[5a]H)(C[6]O[6]O)(H)2{1|O<2>,3|C<3>}	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<3>,4|H<1>}	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	111.2490	1.559	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:3:1:1:	4:3:2:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(H)2	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,4|H<1>}	110.3660	0.000	1	110.3660	0.000	1	110.3660	0.000	1	111.2490	1.559	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:3:3:1:	3:4:2:	C[5a]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[5,6]S)(CC[6a]O)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|H<1>,1|S<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[5,6]S)(CC[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){3|H<1>,4|C<3>}	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:3:3:1:	4:3:2:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CNO)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CNO)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|H<1>,4|C<3>}	113.5990	0.000	1	113.5990	0.000	1	113.5990	0.000	1	112.2015	3.906	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:3:3:1:	4:3:2:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(COO)(H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(COO)(H){1|O<2>,3|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|H<1>,4|C<3>}	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	112.2015	3.906	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:3:4:1:	4:3:2:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H)	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:3:4:4:	4:3:2:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CH3)2	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CH3)2{1|S<2>,3|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	114.3570	0.000	1	114.3570	0.000	1	114.3570	0.000	1	114.3570	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[5a]N[5a]H){1|C<4>,4|C<3>,4|H<1>}	111.7970	0.311	2	111.7970	0.097	2	111.7970	0.097	2	110.6668	2.616	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5a]N[6]H)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[5a]N[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){2|C<4>,3|C<3>,4|H<1>}	107.6610	0.000	1	107.6610	0.000	1	107.6610	0.000	1	110.6668	2.616	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[5a]H)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H){2|H<1>,2|N<3>,6|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>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,4|C<3>,4|H<1>}	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	110.6668	2.616	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]O[6]O)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]O[6]O)(H)2{6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){2|C<4>,3|H<1>,4|C<3>}	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	110.6668	2.616	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:1:1:	3:4:3:	N[6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[5a]-3:	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	C[5a](C[5a]C[6a]O[5a])(C[6]C[6]N[6]H)(C[5a]C[5a]C)	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6]C[6]N[6]H)(C[5a]C[5a]C){2|H<1>,3|C<3>,3|C<4>}	110.1060	0.000	1	110.1060	0.000	1	110.1060	0.000	1	110.6668	2.616	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:1:1:	4:3:2:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HO)(H)2	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HO)(H)2{1|O<2>,3|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	113.0060	0.000	1	113.0060	0.000	1	113.0060	0.000	1	113.0060	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]B[5]H)(C[6]C[5a]N[6]H)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]C[6]CH)(H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]B[5]H)(C[6]C[5a]N[6]H)(COO)(H){1|H<1>,2|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|C<4>,3|H<1>,5|C<3>}	115.7130	0.000	1	115.7130	0.000	1	115.7130	0.000	1	113.3073	4.778	3	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:3:1:	3:4:3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	112.1045	0.936	2	112.1045	0.875	2	112.1045	0.875	2	113.3073	4.778	3	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:3:1:	4:3:2:	N[5,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	C[5a](C[6]N[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a](C[6]N[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	108.5580	0.661	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:3:1:	4:3:2:	N[6,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	107.9830	0.000	1	107.9830	0.000	1	107.9830	0.000	1	108.5580	0.661	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	111.6180	0.000	1	111.6180	0.000	1	111.6180	0.000	1	110.9960	0.774	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.3740	0.000	1	110.3740	0.000	1	110.3740	0.000	1	110.9960	0.774	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:4:1:	4:3:2:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H)	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	113.3210	0.000	1	113.3210	0.000	1	113.1245	0.077	2	113.1570	2.063	4	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:4:1:	4:3:2:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H)	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	112.9280	0.000	1	112.9280	0.000	1	113.1245	0.077	2	113.1570	2.063	4	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:1:	4:4:4:1:	4:3:2:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H)	C[5a](C[6]N[5a,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[6]N[5a,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	113.1895	2.471	2	113.1895	6.108	2	113.1895	6.108	2	113.1570	2.063	4	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:2:	4:4:4:3:	3:4:2:	C[5a]-3:C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:C-3:	C[5a]-3:C[6]-4:S[5a]-2:	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(C[6]C[6]CC)(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]HH)(COO)	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(C[6]C[6]CC)(OH){3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]HH)(COO){1|O<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(S[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:3:	4:3:1:1:	4:3:3:	C[5a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6]C[5a]C[6a]N[6])(C[6]C[6]O)(H)2	C[5a](C[6]C[6a]C[6]N[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|S<2>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6a]N[6])(C[6]C[6]O)(H)2{1|H<1>,1|S<2>,5|C<3>}	C[5a](C[6]C[6a]C[6]N[6])(C[5a]C[5a]H)(C[5a]S[5a]H){4|C<3>,4|H<1>}	110.8920	0.000	1	110.8920	0.000	1	110.8920	0.000	1	110.8920	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	C[6](C[6]C[5a]2C[6])(C[6]C[6]O)(H)2	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[6](C[6]C[5a]2C[6])(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	109.3775	0.800	2	109.3775	0.640	2	109.3775	0.640	2	109.3775	0.640	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]C[5a]C)(C[6]N[6]CC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,2|N<3>,4|C<3>}	C[6](C[6]C[6,6a]C[5a]C)(C[6]N[6]CC)(H)2{1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5a]N[5a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	105.6190	0.000	1	105.6190	0.000	1	105.6190	0.000	1	105.6190	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:4:	4:4:1:1:	4:3:2:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])2(C[6]C[6]HH)2	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])2(C[6]C[6]HH)2{1|C<4>,4|C<3>,6|H<1>}	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	109.8696	0.659	8	109.8696	0.434	8	109.8696	0.434	8	109.8696	0.434	8	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5a]-3:C[5]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]HH)2	C[6](C[6]C[5a]C[5]C[6])(C[6]C[6]HH)(H)2	C[5a](C[6]C[5]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]HH)2{1|C<4>,4|C<3>,7|H<1>}	C[6](C[6]C[5a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5a](C[6]C[5]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	110.3225	0.302	2	110.3225	0.091	2	110.3225	0.091	2	110.0421	2.238	56	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{2|N<3>,3|C<3>,4|H<1>}	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	109.9020	0.431	2	109.8292	0.672	6	109.8292	0.672	6	110.0421	2.238	56	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	109.7927	1.026	4	109.8292	0.672	6	109.8292	0.672	6	110.0421	2.238	56	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-3:C[5a]-3:	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Co)(C[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|Co<4>,1|C<4>,4|C<3>,6|H<1>}	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Co)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	110.0743	1.578	16	110.0743	2.491	16	110.0570	2.536	48	110.0421	2.238	56	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-3:C[5a]-3:	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|Cu<4>,1|C<4>,4|C<3>,6|H<1>}	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	110.1721	1.654	16	110.1721	2.736	16	110.0570	2.536	48	110.0421	2.238	56	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-3:C[5a]-3:	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Fe)(C[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|Fe<4>,1|C<4>,4|C<3>,6|H<1>}	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Fe)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	109.9247	1.639	16	109.9247	2.687	16	110.0570	2.536	48	110.0421	2.238	56	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:1:	3:4:1:1:	3:4:3:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HH)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5a]O[6]H)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5a]O[6]H)(H)2{1|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,3|H<1>,4|C<3>}	113.8370	0.000	1	113.8370	0.000	1	113.8370	0.000	1	113.8370	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,3|H<1>}	114.7730	2.154	2	114.7730	4.639	2	114.7730	4.639	2	114.7730	4.639	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:1:	4:3:3:1:	4:3:2:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	113.6670	0.000	1	113.6670	0.000	1	113.6670	0.000	1	113.6670	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:1:	4:3:4:1:	4:3:2:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]O)(CH3)(H)	C[5a](C[6]C[6]O[6]H)(C[5a]O[5a]H)(N[5a]C[5a])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]O[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:1:	4:4:1:1:	4:3:2:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<4>,4|H<1>}	112.0475	0.028	2	112.4610	0.513	3	112.4610	0.513	3	112.4610	0.513	3	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:1:	4:4:1:1:	4:3:2:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<4>,4|H<1>}	113.2880	0.000	1	112.4610	0.513	3	112.4610	0.513	3	112.4610	0.513	3	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:1:	4:4:3:1:	3:3:4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]O[6]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]O[6]H){1|C<4>,1|H<1>,4|C<3>}	115.1140	0.117	2	115.1140	0.014	2	115.1140	0.014	2	115.1140	0.014	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:1:	4:4:3:1:	3:4:3:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6]H)(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|N<3>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,3|H<1>,4|C<3>}	114.9240	0.000	1	114.9240	0.000	1	114.9240	0.000	1	114.9240	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:1:	4:4:3:3:	4:3:2:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)(COO)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)(COO)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	116.2785	1.484	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:1:	4:4:3:3:	4:3:2:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)(COO)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)(COO)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	117.1400	0.000	1	117.1400	0.000	1	117.1400	0.000	1	116.2785	1.484	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:1:	4:4:4:4:	4:2:2:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[5a]-2:O[5a]-2:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6]O[6]HH)(CH3)2	C[5a](C[6]C[6]O[6]H)(N[5a]C[5a])(O[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]O[6]HH)(CH3)2{1|C<4>,1|N<2>,1|O<2>}	C[5a](C[6]C[6]O[6]H)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<4>}	114.3740	0.000	1	114.3740	0.000	1	114.3740	0.000	1	114.3740	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:2:	4:4:4:1:	4:2:2:	C[5a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[5a]-2:S[5a]-2:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]CH)(O[6]C[6])(OC)	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H)	C[5a](C[6]C[6]O[6]O)(N[5a]C[5a])(S[5a]C[5a])	C[6](C[5a]N[5a]S[5a])(C[6]C[6]CH)(O[6]C[6])(OC){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[5a](C[6]C[6]O[6]O)(N[5a]C[5a])(S[5a]C[5a]){3|C<4>,3|H<1>}	112.2145	0.057	2	112.2145	0.003	2	112.2145	0.003	2	112.2145	0.003	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	3:4:1:1:	4:2:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-2:S[5a]-2:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a])	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	109.4610	0.000	1	111.7108	1.411	6	111.7108	1.411	6	111.7108	1.411	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	3:4:1:1:	4:2:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-2:S[5a]-2:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a])	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	112.1778	0.570	4	111.7108	1.411	6	111.7108	1.411	6	111.7108	1.411	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	3:4:1:1:	4:2:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-2:S[5a]-2:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a])	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	112.0930	0.000	1	111.7108	1.411	6	111.7108	1.411	6	111.7108	1.411	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	3:4:2:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|O<2>,1|S<4>,3|H<1>,4|C<3>}	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	3:4:3:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]CH)(C[6]O[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]CH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	113.4790	0.000	1	113.4790	0.000	1	113.4790	0.000	1	113.4790	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	3:4:3:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	110.2845	1.019	2	110.2845	1.038	2	110.2845	1.038	2	110.2845	1.038	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	3:4:4:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:2:1:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(H)2	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>}	111.2870	0.000	1	111.2870	0.000	1	111.2870	0.000	1	111.2870	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6]C[6]2H)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	109.6585	0.199	2	109.6585	0.039	2	109.7787	0.063	3	109.7787	0.063	3	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	110.0190	0.000	1	110.0190	0.000	1	109.7787	0.063	3	109.7787	0.063	3	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:3:1:1:	3:4:3:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:3:1:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	111.7030	0.761	2	111.7030	0.579	2	112.2347	0.698	4	112.2578	0.526	5	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:3:1:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,5|H<1>}	112.3290	0.000	1	112.3290	0.000	1	112.2347	0.698	4	112.2578	0.526	5	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:3:1:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	113.2040	0.000	1	113.2040	0.000	1	112.2347	0.698	4	112.2578	0.526	5	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:3:1:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	112.3500	0.000	1	112.3500	0.000	1	112.3500	0.000	1	112.2578	0.526	5	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:3:4:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	111.1430	0.000	1	111.1430	0.000	1	112.3216	3.409	5	112.2508	2.757	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:3:4:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	111.8290	0.000	1	112.4560	5.796	3	112.3216	3.409	5	112.2508	2.757	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:3:4:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	112.7695	3.317	2	112.4560	5.796	3	112.3216	3.409	5	112.2508	2.757	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:3:4:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	113.0970	0.000	1	113.0970	0.000	1	112.3216	3.409	5	112.2508	2.757	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:3:4:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	111.8970	0.000	1	111.8970	0.000	1	111.8970	0.000	1	112.2508	2.757	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,4|H<1>,6|C<3>}	110.9730	0.000	1	110.9730	0.000	1	111.9990	0.691	6	111.9990	0.691	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|C<4>,3|H<1>,4|C<3>}	112.5550	0.051	2	112.5550	0.003	2	111.9990	0.691	6	111.9990	0.691	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	111.5080	0.000	1	111.5080	0.000	1	111.9990	0.691	6	111.9990	0.691	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	111.3470	0.000	1	111.3470	0.000	1	111.9990	0.691	6	111.9990	0.691	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	113.0560	0.000	1	113.0560	0.000	1	111.9990	0.691	6	111.9990	0.691	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	C[5a](N[5a]N[5a]C[6])(C[6]C[6]N[6]H)(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(C[6]C[6]N[6]H)(N[5a]N[5a]){1|C<3>,3|C<4>,4|H<1>}	112.0450	0.000	1	112.0450	0.000	1	112.0450	0.000	1	112.0450	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:1:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|S<4>,2|C<4>,4|H<1>}	112.2120	0.535	2	112.2120	0.286	2	112.2120	0.286	2	111.8457	0.545	3	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:1:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	111.1130	0.000	1	111.1130	0.000	1	111.1130	0.000	1	111.8457	0.545	3	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:2:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H)	C[6](C[6]C[5a]C[6]H)2(OH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	113.1920	0.000	1	113.1920	0.000	1	113.1920	0.000	1	113.1920	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:2:1:	3:4:3:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C){1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	108.7200	0.000	1	108.7200	0.000	1	108.7200	0.000	1	108.7200	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(CHO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(CHO)(H){3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	110.2580	0.000	1	110.2580	0.000	1	111.6495	0.870	4	111.2900	1.298	5	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	112.0460	0.000	2	112.1133	0.014	3	111.6495	0.870	4	111.2900	1.298	5	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	112.2480	0.000	1	112.1133	0.014	3	111.6495	0.870	4	111.2900	1.298	5	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)2(CCC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,3|C<4>}	C[6](C[6]C[5a]C[6]H)2(CCC)(H){2|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H){1|C<4>,2|H<1>,4|C<3>}	109.8520	0.000	1	109.8520	0.000	1	109.8520	0.000	1	111.2900	1.298	5	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:4:3:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]H)(H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H){1|H<1>,2|C<4>,4|C<3>}	115.6980	0.000	1	115.6980	0.000	1	115.6980	0.000	1	115.6980	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:1:	4:4:4:4:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[5a]-3:N[5a]-2:	C[6](C[5a]N[5a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]O[6]HH)(CH3)2	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|O<2>,2|C<4>,2|N<2>,3|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]O[6]HH)(CH3)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|H<1>,4|C<4>}	115.5575	0.952	2	115.5575	0.907	2	115.5575	0.907	2	115.5575	0.907	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:2:	3:4:3:2:	4:3:3:	C[6,6a]-3:C[6]-4:C[5a]-3:O-2:	C[6,6a]-3:C[6]-4:C[5a]-3:O-2:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH)	C[5a](C[6]C[6,6a]C[6]O)(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH){1|C<4>,1|S<2>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH){1|C<4>,1|S<2>,2|H<1>,7|C<3>}	C[5a](C[6]C[6,6a]C[6]O)(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<2>,4|C<3>}	110.8850	0.259	4	110.8850	0.067	4	110.8850	0.067	4	110.8850	0.067	4	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:3:	4:3:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[5a]C[6]C)(N[6]C[6]C)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2C)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(COO){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	109.2460	0.000	1	109.2460	0.000	1	109.2460	0.000	1	109.2460	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:4:	4:2:1:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]N[6]C)(O[6]C[6])(H)2	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(CH3){2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]N[6]C)(O[6]C[6])(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>}	109.0840	0.011	2	109.0840	0.000	2	109.0840	0.000	2	109.0840	0.000	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2C)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	108.5330	0.000	1	108.5330	0.000	1	108.5330	0.000	1	108.5330	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	111.3630	0.000	1	111.3630	0.000	1	110.8865	0.454	2	111.2360	1.594	4	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,2|O<2>,4|H<1>,5|C<3>}	110.4100	0.000	1	110.4100	0.000	1	110.8865	0.454	2	111.2360	1.594	4	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6]2H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|C<2>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6]2H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	112.9710	0.000	1	112.9710	0.000	1	111.5855	3.839	2	111.2360	1.594	4	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	110.2000	0.000	1	110.2000	0.000	1	111.5855	3.839	2	111.2360	1.594	4	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:3:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|C<4>,2|C<3>,5|H<1>}	112.4670	0.000	1	112.4670	0.000	1	112.0090	0.160	3	112.3092	0.266	5	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:3:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	111.7800	0.075	2	111.7800	0.006	2	112.0090	0.160	3	112.3092	0.266	5	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:3:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){1|C<4>,2|C<3>,5|H<1>}	112.9450	0.000	1	112.9450	0.000	1	112.9450	0.000	1	112.3092	0.266	5	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:3:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HW)(C[6]N[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(H)2	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HW)(C[6]N[6]HH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|W<7>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|N<3>,1|W<7>,2|C<4>,4|H<1>}	112.5740	0.000	1	112.5740	0.000	1	112.5740	0.000	1	112.3092	0.266	5	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:3:1:1:	4:2:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.6930	0.877	2	108.6930	0.769	2	108.6930	0.769	2	108.6930	0.769	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){3|C<3>,3|C<4>,4|H<1>}	111.6510	0.000	1	111.6510	0.000	1	111.6510	0.000	1	112.0435	0.308	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	112.4360	0.000	1	112.4360	0.000	1	112.4360	0.000	1	112.0435	0.308	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:3:4:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5a](C[5a]C[5a]N)(C[6]C[6]2H)(O[5a]N[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N)(C[6]C[6]2H)(O[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	110.4820	0.000	1	110.4820	0.000	1	110.4820	0.000	1	110.4820	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:3:4:2:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH){3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	114.9210	0.000	1	114.9210	0.000	1	114.9210	0.000	1	114.9210	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	2:2:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	111.5290	2.499	2	111.5290	6.245	2	112.0635	4.253	4	112.0635	4.253	4	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	2:2:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6]C[6]2H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6]C[6]2H){1|C<3>,3|C<4>,4|H<1>}	112.5980	2.318	2	112.5980	5.373	2	112.0635	4.253	4	112.0635	4.253	4	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:2:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:O[5a]-2:C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(C[6]C[6]2H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	112.4710	0.616	4	112.4710	0.380	4	112.4710	0.380	4	111.7237	1.806	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:2:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H)	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	110.2290	1.090	2	110.2290	1.189	2	110.2290	1.189	2	111.7237	1.806	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5,5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5,5a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6]C[6]2H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	113.1820	1.308	2	113.1820	1.711	2	113.1820	1.711	2	112.4284	1.328	20	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){3|C<3>,3|C<4>,4|H<1>}	114.1420	0.000	1	114.1420	0.000	1	112.7290	1.533	10	112.4284	1.328	20	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|N<4>,2|C<4>,3|C<3>,4|H<1>}	112.2050	0.000	1	112.2050	0.000	1	112.7290	1.533	10	112.4284	1.328	20	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5a]N[6]H)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){2|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[5a]N[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	113.6930	0.000	1	113.6930	0.000	1	112.7290	1.533	10	112.4284	1.328	20	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	110.5440	0.000	1	110.5440	0.000	1	112.7290	1.533	10	112.4284	1.328	20	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){3|C<4>,4|C<3>,5|H<1>}	112.8745	2.002	2	112.8745	4.007	2	112.7290	1.533	10	112.4284	1.328	20	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	113.8060	0.000	1	113.8060	0.000	1	112.7290	1.533	10	112.4284	1.328	20	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]CH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){2|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	112.5860	0.000	1	112.5860	0.000	1	112.7290	1.533	10	112.4284	1.328	20	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	112.2825	0.436	2	112.2825	0.190	2	112.7290	1.533	10	112.4284	1.328	20	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]HW)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]HW)(H){3|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|W<7>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2H){1|W<7>,2|C<4>,5|H<1>}	110.5440	0.000	1	110.5440	0.000	1	111.7421	0.719	7	112.4284	1.328	20	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(C[6]C[6]2H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	111.6880	1.073	2	111.6880	1.152	2	111.7421	0.719	7	112.4284	1.328	20	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,5|H<1>}	112.5230	0.680	2	112.5230	0.463	2	111.7421	0.719	7	112.4284	1.328	20	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[6]C[6]2H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[6]C[6]2H){2|C<4>,5|H<1>}	111.6145	0.078	2	111.6145	0.006	2	111.7421	0.719	7	112.4284	1.328	20	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H){1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	112.7190	0.000	1	112.7190	0.000	1	112.7190	0.000	1	112.4284	1.328	20	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6]H)(H)2	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H){2|C<3>,2|C<4>,3|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>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|W<7>,3|C<4>,4|H<1>}	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	111.9791	2.143	19	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]N[5a])	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]N[5a]){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	112.3155	0.404	2	112.3155	0.163	2	112.2729	2.332	14	111.9791	2.143	19	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a])	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a]){2|C<3>,2|C<4>,5|H<1>}	112.9050	1.253	4	112.2658	2.741	12	112.2729	2.332	14	111.9791	2.143	19	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a])	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a]){2|C<3>,2|C<4>,5|H<1>}	111.5545	3.375	2	112.2658	2.741	12	112.2729	2.332	14	111.9791	2.143	19	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a])	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a]){2|C<3>,2|C<4>,5|H<1>}	112.2020	1.489	2	112.2658	2.741	12	112.2729	2.332	14	111.9791	2.143	19	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a])	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a]){2|C<3>,2|C<4>,5|H<1>}	111.7765	2.945	2	112.2658	2.741	12	112.2729	2.332	14	111.9791	2.143	19	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a])	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a]){2|C<3>,2|C<4>,5|H<1>}	112.2520	0.165	2	112.2658	2.741	12	112.2729	2.332	14	111.9791	2.143	19	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](N[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	110.9085	1.456	2	110.9085	2.120	2	111.3305	1.016	4	111.9791	2.143	19	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[5a](N[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]N[5a]){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	111.7525	0.463	2	111.7525	0.215	2	111.3305	1.016	4	111.9791	2.143	19	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	4:2:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.8765	0.752	2	114.8765	0.565	2	111.6640	2.864	14	111.6621	2.537	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	4:2:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	111.7495	0.077	2	111.5118	1.065	4	111.6640	2.864	14	111.6621	2.537	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	4:2:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a]){1|C<3>,3|C<4>,4|H<1>}	111.2740	1.721	2	111.5118	1.065	4	111.6640	2.864	14	111.6621	2.537	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	4:2:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](C[6]C[6]2H)(N[5a]N[5a])(O[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5a](C[6]C[6]2H)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	111.5825	1.272	2	111.5825	1.618	2	111.6640	2.864	14	111.6621	2.537	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	4:2:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	110.7218	1.075	6	110.7218	1.156	6	111.6640	2.864	14	111.6621	2.537	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:1:1:	4:2:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-2:S[5a]-2:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[5a](C[6]C[6]2H)(N[5a]C[5a])(S[5a]C[5a])	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	111.6552	1.402	4	111.6552	1.965	4	111.6552	1.965	4	111.6621	2.537	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	108.4870	0.000	1	108.4870	0.000	1	110.4680	7.849	2	110.6717	4.049	3	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H)	C[6](C[6]C[5a]C[6]H)2(OH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	112.4490	0.000	1	112.4490	0.000	1	110.4680	7.849	2	110.6717	4.049	3	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|N<4>,4|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H){1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	111.0790	0.000	1	111.0790	0.000	1	111.0790	0.000	1	110.6717	4.049	3	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:2:2:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CN)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6]2H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CN)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6]2H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	112.8720	0.000	1	112.8720	0.000	1	112.8720	0.000	1	112.9615	0.016	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:2:2:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OC)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OC)2{4|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,2|O<2>,4|H<1>,5|C<3>}	113.0510	0.000	1	113.0510	0.000	1	113.0510	0.000	1	112.9615	0.016	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:3:1:	3:2:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	N[5a]-3:N[5a]-2:C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(COO)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H)	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	112.7970	0.129	2	112.7970	0.017	2	112.7970	0.017	2	112.7970	0.017	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)2(CCC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6](C[6]C[5a]C[6]H)2(CCC)(H){2|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	113.4410	0.000	1	113.4410	0.000	1	113.4410	0.000	1	113.4410	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:3:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(COW)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(COW)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|C<4>,2|C<3>,5|H<1>}	110.4490	0.000	1	110.4490	0.000	1	110.4490	0.000	1	112.3683	1.861	4	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:3:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(COO)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(COO)(H){1|S<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){1|C<4>,2|C<3>,5|H<1>}	113.6700	0.000	1	113.6700	0.000	1	113.6700	0.000	1	112.3683	1.861	4	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:3:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	112.6770	0.119	2	112.6770	0.014	2	112.6770	0.014	2	112.3683	1.861	4	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	116.5360	0.000	1	116.5360	0.000	1	116.5360	0.000	1	116.5360	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:4:2:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH)	C[5a](C[5a]C[5a]N)(C[6]C[6]2H)(O[5a]N[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[6]C[6]2H)(O[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:1:	4:4:4:3:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-4:C-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NH3)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NH3)(COO){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|N<4>,2|C<4>,3|C<3>,4|H<1>}	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:2:	4:3:1:1:	2:2:4:	C[5a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	N[5a]-2:S[5a]-2:C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN)	C[6](C[6]C[5a]C[6]C)(C[6]C[6]C)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2C)	C[6](C[5a]N[5a]S[5a])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN){1|C<4>,5|C<3>}	C[6](C[6]C[5a]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2C){1|O<2>,3|H<1>,4|C<3>}	109.8620	0.000	1	109.8620	0.000	1	109.8620	0.000	1	109.8620	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:2:	4:3:2:1:	2:2:4:	C[5a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6a]-3:O[6]-2:H-1:	N[5a]-2:S[5a]-2:C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN)	C[6](C[6]C[5a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2C)	C[6](C[5a]N[5a]S[5a])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN){1|C<4>,5|C<3>}	C[6](C[6]C[5a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,1|S<2>,3|C<3>,6|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2C){1|O<2>,3|H<1>,4|C<3>}	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:2:	4:4:1:1:	3:2:4:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HO)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2O)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2O){2|C<3>,2|C<4>,4|H<1>}	109.6530	0.925	2	109.6530	0.855	2	109.6530	0.855	2	109.6530	0.855	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:2:	4:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(CN)	C[6](C[6]C[5a]C[6]C)(C[6]N[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6]C[6]2C)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(CN){1|N<3>,1|S<2>,2|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6]C[6]2C){2|C<3>,2|C<4>,5|H<1>}	111.4315	0.135	2	111.4315	0.018	2	111.4315	0.018	2	111.4315	0.018	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:2:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	C[5a](C[5a]N[5a]H)(C[6]C[6]2O)(N[5a]N[5a])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(OH){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5a](C[5a]N[5a]H)(C[6]C[6]2O)(N[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	109.5560	0.778	4	109.8873	1.368	12	109.8873	1.368	12	110.0640	1.194	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:2:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	C[5a](C[5a]N[5a]H)(C[6]C[6]2O)(N[5a]N[5a])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(OH){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5a](C[5a]N[5a]H)(C[6]C[6]2O)(N[5a]N[5a]){3|C<4>,4|H<1>}	110.0530	1.340	8	109.8873	1.368	12	109.8873	1.368	12	110.0640	1.194	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:2:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(O[5a]N[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(O[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.9585	1.112	2	110.9585	1.237	2	110.4173	0.826	6	110.0640	1.194	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:2:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(O[5a]N[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(OH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(O[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	110.1467	0.819	4	110.1467	0.671	4	110.4173	0.826	6	110.0640	1.194	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:2:	4:4:2:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2O){1|O<2>,1|S<4>,2|H<1>,3|C<3>,3|C<4>}	111.0310	0.239	2	111.0310	0.057	2	111.0310	0.057	2	111.0310	0.057	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:2:	4:4:2:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(O[5a]N[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(O[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.7760	1.069	2	109.7760	1.143	2	109.7760	1.143	2	109.7760	1.143	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:2:	4:4:4:3:	3:3:4:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:C-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2O){1|O<2>,1|S<4>,2|H<1>,3|C<3>,3|C<4>}	111.5830	0.048	2	111.5830	0.002	2	111.5830	0.002	2	111.5830	0.002	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:3:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NC[3]H)	C[6](C[6]C[5a]C[6]N)(C[6]N[6]HH)(H)2	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NC[3]H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	C[6](C[6]C[5a]C[6]N)(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	109.0685	0.366	2	109.0685	0.134	2	109.2368	0.453	6	109.2368	0.453	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:3:	4:4:1:1:	3:4:2:	C[5a]-3:C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NHN)	C[6](C[6]C[5a]C[6]N)(C[6]C[6]HH)(H)2	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NHN){2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[5a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	109.3210	0.826	4	109.3210	0.682	4	109.2368	0.453	6	109.2368	0.453	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:4:	4:4:1:1:	4:2:2:	C[5a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5a]C[6]C)(C[6]C[6,6]HH)(H)2	C[5a](C[6]C[6]2C)(N[5a]N[5a])(O[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]C)(C[6]C[6,6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[5a](C[6]C[6]2C)(N[5a]N[5a])(O[5a]C[5a]){3|H<1>,4|C<4>}	108.6670	0.083	2	108.6670	0.007	2	108.6670	0.007	2	108.6670	0.007	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:4:	4:4:1:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH)	C[6](C[6]C[5a]N[6]C)(C[6]C[6]HH)(H)2	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH){2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[5a]N[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<4>,4|H<1>}	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:4:	4:4:4:1:	4:2:2:	C[5a]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H)	C[5a](C[6]C[6]2C)(N[5a]N[5a])(O[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C[5a](C[6]C[6]2C)(N[5a]N[5a])(O[5a]C[5a]){3|H<1>,4|C<4>}	108.6910	0.000	1	108.9680	0.153	2	108.9680	0.153	2	108.9680	0.153	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:4:	4:4:4:1:	4:2:2:	C[5a]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H)	C[5a](C[6]C[6]2C)(N[5a]N[5a])(O[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H){1|N<2>,1|O<2>,3|C<4>,5|H<1>}	C[5a](C[6]C[6]2C)(N[5a]N[5a])(O[5a]C[5a]){3|H<1>,4|C<4>}	109.2450	0.000	1	108.9680	0.153	2	108.9680	0.153	2	108.9680	0.153	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:2:1:	3:4:1:1:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5a]O[6]H)(H)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5a]O[6]H)(H)2{3|C<3>,4|C<4>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,3|H<1>}	114.9290	0.000	1	114.9290	0.000	1	114.9290	0.000	1	114.9290	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]O[6]H)(H)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,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>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	113.0145	1.226	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6,6])(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[5a]O[6]H)(H)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6,6])(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[5a]O[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<4>,3|H<1>}	114.2180	0.000	1	114.2180	0.000	1	112.9591	1.244	17	113.0145	1.226	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{2|O<2>,3|C<3>,3|C<4>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	111.6850	0.000	1	111.6850	0.000	1	112.9591	1.244	17	113.0145	1.226	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	113.0820	0.000	1	113.0820	0.000	1	112.9591	1.244	17	113.0145	1.226	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	113.1215	0.095	2	113.1215	0.009	2	112.9591	1.244	17	113.0145	1.226	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	112.7806	1.631	5	112.9185	1.765	10	112.9591	1.244	17	113.0145	1.226	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	112.5505	0.893	2	112.9185	1.765	10	112.9591	1.244	17	113.0145	1.226	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	113.3937	1.305	3	112.9185	1.765	10	112.9591	1.244	17	113.0145	1.226	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5a]O[6]H)(H)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5a]O[6]H)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	112.3460	0.000	1	112.3460	0.000	1	112.9591	1.244	17	113.0145	1.226	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(H)2	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	113.5450	0.000	1	113.5450	0.000	1	112.9591	1.244	17	113.0145	1.226	18	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:3:1:	3:4:3:1:	4:3:3:	C[6]-4:N[6]-3:C[5a]-3:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]N[6]H)(COO)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]S[5a]H){1|N<3>,2|H<1>,3|C<3>}	114.5160	0.000	1	114.5160	0.000	1	114.5160	0.000	1	114.5160	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:3:1:	3:4:4:1:	3:3:4:	C[6]-4:C[5a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]H)(CH3)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6]C[6]2H)	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]H)(CH3)(H){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6]C[6]2H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:3:4:	4:4:1:1:	4:3:2:	C[5,6]-4:C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[5a]C[5a]O[5a])2(C[6]C[6]HH)	C[6](C[6]C[5,6]C[5a]2)(C[6]C[6]HH)(H)2	C[5a](C[6]C[5,6]C[5a]C[6])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	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>}	C[6](C[6]C[5,6]C[5a]2)(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,5|C<3>}	C[5a](C[6]C[5,6]C[5a]C[6])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	110.7295	1.463	2	110.7295	2.140	2	110.7295	2.140	2	110.7295	2.140	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:1:	3:4:3:1:	3:3:4:	C[6]-4:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|S<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	113.7395	0.815	2	113.7395	0.665	2	113.7395	0.665	2	113.7395	0.665	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H)	C[6](C[5,6]C[5]C[6]O[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:1:	4:3:1:1:	4:3:2:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]H)(H)2	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5a]C[5a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[5,5,6]C[5a]H)(N[6]C[6]S)(H)2	C[5a](C[6]C[5,5,6]C[6]H)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5a]C[5a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<2>,1|S<4>,4|H<1>,5|C<3>}	C[6](C[6]C[5,5,6]C[5a]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[5,5,6]C[6]H)(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]O)(COO)(H)	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]2)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,2|O<2>,7|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]O)(COO)(H){2|C<3>,4|C<4>}	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,2|H<1>,3|C<4>}	110.6840	0.000	1	110.6840	0.000	1	110.6840	0.000	1	110.6840	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:1:	4:3:4:1:	3:2:4:	C[6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:C[6]-4:H-1:	N[5a]-3:N[5a]-2:C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	110.2675	0.325	2	110.2675	0.105	2	110.2675	0.105	2	110.2675	0.105	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:1:	4:4:1:1:	3:2:4:	C[6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	110.7835	0.708	2	110.7835	0.501	2	110.7835	0.501	2	110.7835	0.501	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|S<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	110.0500	0.412	2	110.0500	0.169	2	110.0500	0.169	2	110.0500	0.169	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:1:	4:4:1:1:	3:4:3:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H)	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	114.5770	0.000	1	114.5770	0.000	1	114.5770	0.000	1	114.5770	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:1:	4:4:1:1:	4:3:2:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HH)(H)2	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	112.9360	0.000	1	112.9360	0.000	1	111.7920	2.617	2	111.7920	2.617	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:1:	4:4:1:1:	4:3:2:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HO)(H)2	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HO)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	110.6480	0.000	1	110.6480	0.000	1	111.7920	2.617	2	111.7920	2.617	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:1:	4:4:1:1:	4:3:3:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(H)2	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){3|C<4>,4|H<1>}	112.6000	0.328	2	112.6000	0.108	2	112.6000	0.108	2	112.6000	0.108	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:1:	4:4:3:1:	4:3:2:	C[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H)	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H){2|C<3>,2|H<1>,3|O<2>}	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[5,6]C[5]N[5]O[6])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(CCHH)(H)	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5,6]C[5]N[5]O[6])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>,4|C<4>}	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[6,6]-4:C[5a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO){3|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	108.1942	0.404	5	108.2218	0.135	6	108.2218	0.135	6	108.2218	0.135	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[6,6]-4:C[5a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	108.3600	0.000	1	108.2218	0.135	6	108.2218	0.135	6	108.2218	0.135	6	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:4:	4:4:1:1:	4:2:2:	C[6,6]-4:C[5a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-2:S[5a]-2:	C[6](C[6,6]C[6,6]C[6]H)(C[5a]N[5a]S[5a])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2	C[5a](C[6]C[6,6]C[6]C)(N[5a]N[5a])(S[5a]C[5a])	C[6](C[6,6]C[6,6]C[6]H)(C[5a]N[5a]S[5a])(C[6]C[6]HH)(CH3){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2{1|N<2>,1|S<2>,2|C<4>,3|H<1>}	C[5a](C[6]C[6,6]C[6]C)(N[5a]N[5a])(S[5a]C[5a]){1|N<3>,3|C<4>,3|H<1>}	106.5815	2.139	2	106.5815	4.575	2	106.5815	4.575	2	106.5815	4.575	2	111.3675	3.827	358	111.8366	5.344	690
466	466	727	0:SP3_SP2_SP3	C[6]	C[6]	C[5a]	4:3:4:4:	4:4:4:1:	4:3:3:	C[6,6]-4:C[5a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H)	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,2|C<3>,5|C<4>}	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	111.3675	3.827	358	111.8366	5.344	690
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[3x6]	C[5a,6]	3:4:2:2:	3:4:2:2:	3:4:3:	C[5a,6]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[5a,6]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[5a,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H)	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2{1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2{1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>,2|C<4>,2|O<2>}	111.8820	0.000	1	111.7695	0.216	4	111.7695	0.216	4	111.7695	0.216	4	109.9105	8.487	6	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[3x6]	C[5a,6]	3:4:2:2:	3:4:2:2:	3:4:3:	C[5a,6]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[5a,6]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[5a,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H)	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2{1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2{1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H){1|C<3>,1|F<1>,1|S<2>,2|C<4>,2|O<2>}	111.4160	0.182	2	111.7695	0.216	4	111.7695	0.216	4	111.7695	0.216	4	109.9105	8.487	6	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[3x6]	C[5a,6]	3:4:2:2:	3:4:2:2:	3:4:3:	C[5a,6]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[5a,6]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[5a,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H)	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2{1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2{1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|C<4>,2|O<2>}	112.3640	0.000	1	111.7695	0.216	4	111.7695	0.216	4	111.7695	0.216	4	109.9105	8.487	6	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[3x6]	C[5a,6]	4:3:3:4:	4:3:3:4:	4:3:3:	C[3x6]-4:C[5a,6]-3:C[6,6,6a]-3:C[6]-4:	C[3x6]-4:C[5a,6]-3:C[6,6,6a]-3:C[6]-4:	C[3x6]-4:C[5a,6]-3:C[5a]-3:	C[3x6](C[3x6]C[6,6,6a]C[5a,6]C[6])(C[5a,6]C[5a,6]C[5a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[3x6](C[3x6]C[6,6,6a]C[5a,6]C[6])(C[5a,6]C[5a,6]C[5a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[5a,6](C[3x6]C[6,6,6a]C[3x6]C[6])(C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)	C[3x6](C[3x6]C[6,6,6a]C[5a,6]C[6])(C[5a,6]C[5a,6]C[5a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){1|S<2>,2|C<4>,5|H<1>,7|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[5a,6]C[6])(C[5a,6]C[5a,6]C[5a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){1|S<2>,2|C<4>,5|H<1>,7|C<3>}	C[5a,6](C[3x6]C[6,6,6a]C[3x6]C[6])(C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H){2|C<4>,3|H<1>,5|C<3>}	106.1925	0.562	2	106.1925	0.316	2	106.1925	0.316	2	106.1925	0.316	2	109.9105	8.487	6	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5a,6,6]-3:C[5a,6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[5a,6,6]-3:C[5a,6]-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a,6])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[3x6]C[5a])(C[5a,6]N[5a,6]C[6])	C[3x6](C[5a,6,6]C[5a,6,6]C[5a,6])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[3x6]C[5a])(C[5a,6]N[5a,6]C[6]){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	104.1020	1.529	2	104.1020	2.337	2	104.1020	2.337	2	104.3155	0.845	4	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5a,6,6]-3:C[5a,6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[5a,6,6]-3:C[5a]-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[5a,6]C[3x6])(C[5a]N[5a,6]C)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])2(C[6,6]C[6,6]HH)(H){2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[5a,6]C[3x6])(C[5a]N[5a,6]C){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	104.5290	0.120	2	104.5290	0.014	2	104.5290	0.014	2	104.3155	0.845	4	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C[6])	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C[6]){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	105.9495	0.284	2	105.9495	0.080	2	105.9852	0.974	19	105.9852	0.974	19	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]H)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]H){1|C<4>,3|C<3>,4|H<1>}	106.0985	0.088	2	106.0985	0.008	2	105.9852	0.974	19	105.9852	0.974	19	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C){1|C<4>,2|C<3>,5|H<1>}	105.3628	0.595	8	105.9748	1.243	15	105.9852	0.974	19	105.9852	0.974	19	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C){1|Ni<4>,1|C<4>,2|C<3>,4|H<1>}	106.6743	1.191	7	105.9748	1.243	15	105.9852	0.974	19	105.9852	0.974	19	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:3:1:	4:4:3:4:	4:3:3:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){3|C<3>,3|H<1>,4|C<4>}	111.5225	0.177	2	111.5225	0.032	2	111.5225	0.032	2	111.5225	0.032	2	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:3:1:	4:4:4:3:	4:3:3:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	110.8250	0.000	1	111.0170	0.073	3	111.0170	0.073	3	111.0170	0.073	3	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:3:1:	4:4:4:3:	4:3:3:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	111.1130	0.300	2	111.0170	0.073	3	111.0170	0.073	3	111.0170	0.073	3	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:3:1:	4:4:4:4:	4:3:3:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	111.5290	0.330	2	111.6440	0.223	7	111.6220	0.153	10	111.6220	0.153	10	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:3:1:	4:4:4:4:	4:3:3:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|N<3>,2|C<3>,3|H<1>,5|C<4>}	112.3390	0.000	1	111.6440	0.223	7	111.6220	0.153	10	111.6220	0.153	10	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:3:1:	4:4:4:4:	4:3:3:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	110.8420	0.000	1	111.6440	0.223	7	111.6220	0.153	10	111.6220	0.153	10	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:3:1:	4:4:4:4:	4:3:3:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){3|C<3>,3|H<1>,5|C<4>}	111.8185	0.125	2	111.6440	0.223	7	111.6220	0.153	10	111.6220	0.153	10	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:3:1:	4:4:4:4:	4:3:3:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	111.6320	0.000	1	111.6440	0.223	7	111.6220	0.153	10	111.6220	0.153	10	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:3:1:	4:4:4:4:	4:3:3:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	111.5707	0.118	3	111.5707	0.014	3	111.6220	0.153	10	111.6220	0.153	10	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a]-3:C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[5a]C[5a]S[5a])(C[3x6]C[6,6]2H)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[5a]C[5a]S[5a])(C[3x6]C[6,6]2H){1|Br<1>,1|C<3>,1|S<2>,2|C<4>,5|H<1>}	106.8918	0.487	4	106.8918	0.237	4	106.8918	0.237	4	106.8918	0.237	4	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[3x6]-4:S[5a]-2:	C[3x6](C[5a,6,6]C[5a,6,6]S[5a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(S[5a]C[5a])	C[3x6](C[5a,6,6]C[5a,6,6]S[5a])(C[6,6]C[6,6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(S[5a]C[5a]){1|C<3>,2|C<4>,6|H<1>}	106.8510	0.143	2	106.8510	0.020	2	106.8510	0.020	2	106.8510	0.020	2	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]S[5a]Br)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]S[5a]Br){1|C<3>,2|C<4>,5|H<1>}	106.9295	0.148	4	106.9295	0.022	4	107.0798	0.122	6	107.0798	0.122	6	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5a,6,6](C[5a,6,6]C[3x6]S[5a])(C[3x6]C[6,6]2H)(C[5a]C[5a]H)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]S[5a])(C[3x6]C[6,6]2H)(C[5a]C[5a]H){1|C<3>,2|C<4>,5|H<1>}	107.3805	0.523	2	107.3805	0.273	2	107.0798	0.122	6	107.0798	0.122	6	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5a,6,6]	3:4:4:1:	4:4:3:4:	4:3:3:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){3|H<1>,4|C<3>,4|C<4>}	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	107.8227	7.281	51	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[4x6]	C[3x6]	C[5a,6,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5a,6,6]-3:C[4x6]-4:C[3x6]-4:H-1:	C[4x6]-4:C[4x6]-4:C-4:H-1:	C[5a,6,6]-3:C[4x6]-4:N[5a]-3:	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H)	C[3x6](C[4x6]C[5a,6,6]C[4x6]H)(C[4x6]C[4x6]C[6,6]H)(CH3)(H)	C[5a,6,6](C[5a,6,6]C[5a,6a]C[4x6])(C[4x6]C[3x6]C[4x6]H)(N[5a]C[5a,6a]C)	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[5a,6,6]C[4x6]H)(C[4x6]C[4x6]C[6,6]H)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5a,6,6](C[5a,6,6]C[5a,6a]C[4x6])(C[4x6]C[3x6]C[4x6]H)(N[5a]C[5a,6a]C){1|H<1>,3|C<3>,5|C<4>}	102.2570	0.000	1	102.2570	0.000	1	102.2570	0.000	1	102.2570	0.000	1	102.2570	0.000	1	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[4x6]	C[4x6]	C[5a,6,6]	3:4:3:4:	4:4:3:1:	3:3:4:	C[5a,6,6]-3:C[4x6]-4:C[3x6]-3:C-4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[5a,6a]-3:C[5a,6,6]-3:C[4x6]-4:	C[4x6](C[5a,6,6]C[5a,6,6]C[5a,6a])(C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]O)(CH3)	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H)	C[5a,6,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6,6]C[4x6]N[5a])(C[4x6]C[3x6]C[4x6]C)	C[4x6](C[5a,6,6]C[5a,6,6]C[5a,6a])(C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]O)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5a,6,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6,6]C[4x6]N[5a])(C[4x6]C[3x6]C[4x6]C){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	111.7250	0.000	1	111.7250	0.000	1	111.7250	0.000	1	111.7250	0.000	1	108.3955	22.171	2	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[4x6]	C[4x6]	C[5a,6,6]	3:4:4:1:	4:4:3:4:	3:4:3:	C[5a,6,6]-3:C[4x6]-4:C[3x6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[3x6]-3:C-4:	C[5a,6,6]-3:C[4x6]-4:N[5a]-3:	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H)	C[4x6](C[4x6]C[5a,6,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(CH3)	C[5a,6,6](C[5a,6,6]C[5a,6a]C[4x6])(C[4x6]C[3x6]C[4x6]H)(N[5a]C[5a,6a]C)	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[4x6](C[4x6]C[5a,6,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5a,6,6](C[5a,6,6]C[5a,6a]C[4x6])(C[4x6]C[3x6]C[4x6]H)(N[5a]C[5a,6a]C){1|H<1>,3|C<3>,5|C<4>}	105.0660	0.000	1	105.0660	0.000	1	105.0660	0.000	1	105.0660	0.000	1	108.3955	22.171	2	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a,6]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3)	C[3x6](C[6,6]C[5a,6]C[6,6a]C)(C[6,6]C[6]O[6]H)2(H)	C[5a,6](C[6,6]C[6,6a]C[3x6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5a,6]C[6,6a]C)(C[6,6]C[6]O[6]H)2(H){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[6,6]C[6,6a]C[3x6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	105.5270	0.000	1	105.5270	0.000	1	105.5270	0.000	1	105.5270	0.000	1	110.0123	5.427	9	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a,6]	3:4:2:4:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[3x6]-4:O[6]-2:C-4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(CH3)	C[3x6](C[6,6]C[5a,6]O[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]O[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(CH3){2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[5a,6]O[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]O[6]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	110.2455	0.074	2	110.2455	0.006	2	110.2455	0.006	2	110.2455	0.006	2	110.0123	5.427	9	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a,6]	3:4:3:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[3x6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)(C[6]O[6]O)(H)	C[3x6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]C[6]H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)(C[6]O[6]O)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	110.3247	2.920	3	110.0123	5.427	9	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a,6]	3:4:3:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	C[3x6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]N[6]H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]N[6]H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	109.3735	0.641	2	109.3735	0.411	2	109.3735	0.411	2	110.3247	2.920	3	110.0123	5.427	9	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a,6]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[6,6]2H)(N[6]C[6]H)(H)	C[3x6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(H)	C[5a,6](C[6,6]C[3x6]N[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[6,6]2H)(N[6]C[6]H)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[6,6]C[3x6]N[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|C<3>,2|C<4>,5|H<1>}	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	110.0123	5.427	9	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(H)	C[3x6](C[6,6]C[5a,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]H)(C[5a]C[5a,6a]C)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[5a,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,6|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]H)(C[5a]C[5a,6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	110.0123	5.427	9	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5a,6]	3:4:4:3:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[3x6]-4:C[6]-4:C-3:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(COO)	C[3x6](C[6,6]C[5a,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]C)(C[5a]C[5a,6a]C)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(COO){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[5a,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,6|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]C)(C[5a]C[5a,6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	110.0123	5.427	9	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6,6]	4:3:4:4:	4:4:4:1:	4:3:3:	C[6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5a,6,6](C[6,6]C[6,6]C[6]C)(C[5a,6]N[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[5a,6,6](C[6,6]C[6,6]C[6]C)(C[5a,6]N[5a]C[6])(C[5a,6]O[5a]C[6]){1|O<2>,3|C<4>,6|H<1>}	104.6665	0.342	2	104.6665	0.117	2	104.6665	0.117	2	104.6665	0.117	2	104.6665	0.117	2	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:1:1:	4:3:2:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5a,6]-3:S[5a]-2:	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(H)2	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(H)2{1|S<2>,3|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	105.9720	0.000	1	105.9720	0.000	1	105.9720	0.000	1	105.9720	0.000	1	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[5a,6]N[5a,6]H)(C[6,6]C[6]2H)(H)2	C[5a,6](C[6,6]N[5a,6]C[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[5a,6]N[5a,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[6,6]N[5a,6]C[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,5|C<3>}	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:2:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-2:C-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6])(COO)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6])(COO){1|S<4>,6|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|C<4>,4|C<3>}	106.1270	0.000	1	106.1270	0.000	1	106.1270	0.000	1	106.1270	0.000	1	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(COO)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|H<1>,1|N<2>,1|N<3>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(COO)(H){4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	106.4490	0.000	1	106.4490	0.000	1	106.4040	0.004	2	106.4040	0.004	2	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2H)(COO)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|N<2>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2H)(COO)(H){4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	106.3590	0.000	1	106.3590	0.000	1	106.4040	0.004	2	106.4040	0.004	2	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6,6]C[6,6]2H)(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6,6]C[6,6]2H)(C[5a]N[5a]C){1|H<1>,2|C<3>,3|C<4>}	108.6780	0.000	1	108.6780	0.000	1	108.6780	0.000	1	108.6780	0.000	1	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]O[6]CC)(C[6]S[6]HH)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]S[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]O[6]CC)(C[6]S[6]HH)(H){4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]S[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:4:2:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<2>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN){1|S<4>,6|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){1|C<2>,2|C<4>,5|C<3>}	107.7580	0.000	1	107.7580	0.000	1	107.0480	0.393	3	107.0480	0.393	3	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:4:2:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN){6|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,2|C<4>,3|C<3>}	106.6930	0.174	2	106.6930	0.030	2	107.0480	0.393	3	107.0480	0.393	3	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:4:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(COO)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(COO){1|S<4>,6|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){2|C<4>,4|C<3>}	106.3850	0.000	1	106.3850	0.000	1	106.8960	0.194	4	106.8960	0.194	4	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:4:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<2>,1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){2|C<4>,6|C<3>}	106.8720	0.000	1	106.8720	0.000	1	106.8960	0.194	4	106.8960	0.194	4	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:3:4:1:	4:4:4:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){2|C<4>,4|C<3>}	107.1635	0.422	2	107.1635	0.178	2	106.8960	0.194	4	106.8960	0.194	4	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H){6|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	107.4790	0.000	1	107.4790	0.000	1	106.8997	0.266	3	106.8997	0.266	3	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	106.4900	0.000	1	106.4900	0.000	1	106.8997	0.266	3	106.8997	0.266	3	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]O[5a]O[6])(C[5a]C[6a]N[5a])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]O[5a]O[6])(C[5a]C[6a]N[5a]){1|H<1>,2|C<4>,4|C<3>}	106.7300	0.000	1	106.7300	0.000	1	106.8997	0.266	3	106.8997	0.266	3	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:2:1:	4:4:2:1:	4:3:3:	C[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(C[5a]N[5a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(C[5a]N[5a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	106.4290	0.000	1	106.4290	0.000	1	106.4290	0.000	1	106.4290	0.000	1	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:2:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]C[6]CS)(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5a,6]N[5a]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]C[6]CS)(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5a,6]N[5a]C[6]){3|C<3>,3|C<4>,4|H<1>}	112.2740	0.000	1	112.2740	0.000	1	112.2740	0.000	1	112.2740	0.000	1	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,2|S<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H){2|C<4>,2|S<2>,3|C<3>,4|H<1>}	109.0760	0.000	1	109.1130	0.333	3	109.1130	0.333	3	109.1130	0.333	3	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,2|S<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H){2|S<2>,3|C<3>,3|C<4>,3|H<1>}	108.5550	0.000	1	109.1130	0.333	3	109.1130	0.333	3	109.1130	0.333	3	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|H<1>,2|C<4>,2|S<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H){2|S<2>,3|C<3>,3|C<4>,3|H<1>}	109.7080	0.000	1	109.1130	0.333	3	109.1130	0.333	3	109.1130	0.333	3	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]2H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	106.5410	0.000	1	106.5410	0.000	1	106.5410	0.000	1	107.6780	1.920	6	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|H<1>,4|C<4>}	107.6860	0.000	1	107.6860	0.000	1	107.4982	1.578	4	107.6780	1.920	6	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	105.7140	0.000	1	105.7140	0.000	1	107.4982	1.578	4	107.6780	1.920	6	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|N<3>,1|S<4>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H){1|S<4>,2|C<3>,2|H<1>,4|C<4>}	107.9490	0.000	1	107.9490	0.000	1	107.4982	1.578	4	107.6780	1.920	6	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]S)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H){1|S<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]S){1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	108.6440	0.000	1	108.6440	0.000	1	107.4982	1.578	4	107.6780	1.920	6	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){2|C<4>,3|C<3>,6|H<1>}	109.5340	0.000	1	109.5340	0.000	1	109.5340	0.000	1	107.6780	1.920	6	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]S)	C[6,6](C[5a,6]C[5a,6]N[5a])(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>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]S){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	110.3030	0.000	1	110.3030	0.000	1	110.3030	0.000	1	110.0730	0.081	3	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){3|C<3>,3|C<4>,5|H<1>}	109.9580	0.287	2	109.9580	0.082	2	109.9580	0.082	2	110.0730	0.081	3	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:4:4:	3:4:3:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<4>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){2|C<3>,4|C<4>,5|H<1>}	110.1485	0.347	2	110.1485	0.121	2	110.1485	0.121	2	110.1485	0.121	2	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:2:	4:4:1:1:	4:3:3:	C[5a,6]-3:C[6,6]-4:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6](C[6,6]C[5a,6]C[6a]O[6])(C[6,6]C[6,6a]C[5,6]H)(H)2	C[5a,6](C[6,6]C[6,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,4|H<1>,6|C<3>}	C[6,6](C[6,6]C[5a,6]C[6a]O[6])(C[6,6]C[6,6a]C[5,6]H)(H)2{1|N<3>,7|C<3>}	C[5a,6](C[6,6]C[6,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,7|C<3>}	107.7945	0.125	2	107.7945	0.016	2	107.7945	0.016	2	107.7945	0.016	2	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:3:	3:4:3:3:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-4:C[6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5a,6]C[6]2)(C[6]C[6]H)2	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5a,6]C[6]2)(C[6]C[6]H)2	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]2)(C[5a]C[5a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5a,6]C[6]2)(C[6]C[6]H)2{1|S<2>,2|C<4>,3|H<1>,6|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5a,6]C[6]2)(C[6]C[6]H)2{1|S<2>,2|C<4>,3|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]2)(C[5a]C[5a]H){1|S<2>,3|H<1>,5|C<3>}	109.2835	0.571	2	109.2835	0.326	2	109.2835	0.326	2	109.2835	0.326	2	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:4:1:	3:4:2:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)2(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6]H)2(H)2{2|C<3>,2|N<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,3|C<3>,6|H<1>}	107.0035	0.269	4	107.0035	0.073	4	107.0035	0.073	4	107.2586	0.380	5	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6]){3|C<3>,3|C<4>,6|H<1>}	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	107.2586	0.380	5	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]CH)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[5a]C[5a,6a]C)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	109.2730	0.000	1	109.2730	0.000	1	109.2730	0.000	1	109.2730	0.000	1	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:3:2:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){3|C<3>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	110.3100	1.066	2	110.3100	1.137	2	110.3100	1.137	2	110.3100	1.137	2	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6,6a]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CC)(H){1|N<3>,2|H<1>,4|C<3>,4|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|O<1>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C){1|C<2>,2|H<1>,3|C<3>,3|C<4>}	108.3640	0.000	1	108.3640	0.000	1	107.4397	0.681	3	107.4397	0.681	3	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6,6a]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|N<3>,2|C<3>,2|H<1>,6|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C){3|C<3>,3|C<4>,3|H<1>}	106.9775	0.285	2	106.9775	0.081	2	107.4397	0.681	3	107.4397	0.681	3	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:4:4:	4:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){4|C<4>,5|H<1>}	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:4:2:	3:4:4:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-2:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(N[5a]N[5a])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(N[5a]N[5a]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	105.8910	0.000	1	105.8910	0.000	1	105.8910	0.000	1	105.8910	0.000	1	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:4:2:	4:4:4:1:	4:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a]){3|C<3>,3|C<4>,4|H<1>}	108.8010	0.000	1	108.8010	0.000	1	108.5177	0.060	3	108.5177	0.060	3	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:4:2:	4:4:4:1:	4:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)2(H)	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,2|N<2>,6|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a]){3|C<3>,3|C<4>,4|H<1>}	108.3760	0.004	2	108.3760	0.000	2	108.5177	0.060	3	108.5177	0.060	3	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:4:4:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C){2|C<4>,3|H<1>,5|C<3>}	105.6050	0.000	1	105.6050	0.000	1	105.6050	0.000	1	105.6050	0.000	1	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:4:4:	4:4:4:1:	4:3:2:	C[5a,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:S[5a]-2:	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)	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)	C[5a,6](C[6,6]C[6,6]C[5]C[6])(C[5a,6]C[5,6]C[5a])(S[5a]C[5a])	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>}	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>}	C[5a,6](C[6,6]C[6,6]C[5]C[6])(C[5a,6]C[5,6]C[5a])(S[5a]C[5a]){2|C<3>,4|C<4>,7|H<1>}	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	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)	C[5a,6](C[6,6]C[6,6]C[6]C)(C[5a,6]S[5a]C[6])(C[5a]C[5a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|S<2>,2|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>}	C[5a,6](C[6,6]C[6,6]C[6]C)(C[5a,6]S[5a]C[6])(C[5a]C[5a]H){1|Cl<1>,3|C<4>,5|H<1>}	108.4025	0.224	2	108.4025	0.050	2	108.4025	0.050	2	108.4025	0.050	2	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:4:4:	4:4:4:2:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	106.4140	0.000	1	106.4140	0.000	1	106.4140	0.000	1	106.4140	0.000	1	108.0322	2.286	59	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:2:4:1:	4:4:1:1:	3:3:4:	C[5a,6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6,6]O[6]H)(C[6]C[6]HH)(H)2	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]O[6]H)	C[6,6](C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5a,6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]O[6]H){1|C<4>,2|C<3>,4|H<1>}	107.0810	0.000	1	107.0810	0.000	1	107.0810	0.000	1	107.0810	0.000	1	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5a,6]-3:C[5a,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6,6]N[5a,6]H)(C[6]C[6]HH)(H)2	C[5a,6,6](C[6,6]N[5a,6]C[6]H)(C[5a,6]C[5a]C[6])(C[5a,6]S[5a]C[6])	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5a,6,6]N[5a,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6,6](C[6,6]N[5a,6]C[6]H)(C[5a,6]C[5a]C[6])(C[5a,6]S[5a]C[6]){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	110.1390	0.000	1	110.1390	0.000	1	110.1390	0.000	1	110.1390	0.000	1	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:3:4:2:	4:4:3:1:	3:3:4:	C[5a,6,6]-3:C[6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6,6a]O)(C[6]C[6]CH)(OH)	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6]C[6]CH)(COO)(H)	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2O)	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6,6a]O)(C[6]C[6]CH)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6]C[6]CH)(COO)(H){1|O<1>,2|H<1>,3|C<3>}	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	106.7500	0.000	1	106.7500	0.000	1	106.7500	0.000	1	106.7500	0.000	1	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:3:4:4:	4:2:3:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(O[6]C[6])(COO)(H)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(O[6]C[6])(COO)(H){1|O<1>,4|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	102.9620	0.000	1	102.9620	0.000	1	102.9620	0.000	1	102.9620	0.000	1	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:3:4:4:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-3:Si-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H){1|H<1>,4|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|Si<4>,1|O<1>,3|C<3>,3|H<1>}	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	106.4930	0.000	1	106.5520	0.004	3	106.5520	0.004	3	106.5520	0.004	3	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	106.5815	0.059	2	106.5520	0.004	3	106.5520	0.004	3	106.5520	0.004	3	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:3:4:4:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	103.7490	0.000	1	103.7490	0.000	1	105.3307	4.303	4	105.3307	4.303	4	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:3:4:4:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	103.3370	0.000	1	103.3370	0.000	1	105.3307	4.303	4	105.3307	4.303	4	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:3:4:4:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	107.1185	0.200	2	107.1185	0.040	2	105.3307	4.303	4	105.3307	4.303	4	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:3:4:4:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:Si-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H){1|H<1>,1|O<2>,4|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	105.7530	0.000	1	105.7530	0.000	1	105.7530	0.000	1	105.7530	0.000	1	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2	C[5a,6,6](C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])(C[6,6]C[6]N[6]H)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6,6](C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])(C[6,6]C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	106.1860	0.000	1	106.1860	0.000	1	107.2640	2.324	2	107.2640	2.324	2	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H)	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]N[6]H)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]N[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	108.3420	0.000	1	108.3420	0.000	1	107.2640	2.324	2	107.2640	2.324	2	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5a,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2H)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2H){1|C<4>,5|C<3>,5|H<1>}	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2H)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2H){1|C<4>,5|C<3>,5|H<1>}	106.9280	0.000	1	106.9280	0.000	1	106.9280	0.000	1	106.9280	0.000	1	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5a,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	105.7110	0.000	1	105.5440	0.056	2	105.5440	0.056	2	105.5440	0.056	2	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5a,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	105.3770	0.000	1	105.5440	0.056	2	105.5440	0.056	2	105.5440	0.056	2	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5a,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	108.1490	0.000	1	107.4270	1.043	2	107.4270	1.043	2	107.4270	1.043	2	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5a,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	106.7050	0.000	1	107.4270	1.043	2	107.4270	1.043	2	107.4270	1.043	2	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	4:3:4:1:	4:4:1:1:	3:4:3:	C[5,6]-4:C[5a,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5a,6,6](C[5a,6]C[5,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[5a,6]O[5a]C[6])	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6,6](C[5a,6]C[5,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[5a,6]O[5a]C[6]){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	106.0350	0.000	1	106.0350	0.000	1	106.0350	0.000	1	106.0350	0.000	1	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	4:3:4:4:	4:2:4:1:	4:3:3:	C[3,6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H)	C[5a,6,6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6,6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	105.2400	0.000	1	105.2400	0.000	1	105.2400	0.000	1	105.2400	0.000	1	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	4:3:4:4:	4:4:1:1:	4:3:3:	C[6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[5a,6,6](C[6,6]C[6,6]C[6]C)(C[5a,6]N[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6,6](C[6,6]C[6,6]C[6]C)(C[5a,6]N[5a]C[6])(C[5a,6]O[5a]C[6]){1|O<2>,3|C<4>,6|H<1>}	104.8530	0.368	2	104.8530	0.135	2	104.8530	0.135	2	104.8530	0.135	2	106.3348	2.760	25	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[3x6]	C[5a,6]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	108.2590	0.000	1	108.3440	0.087	4	108.3440	0.087	4	108.3440	0.087	4	107.5585	1.802	12	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[3x6]	C[5a,6]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	108.7430	0.000	1	108.3440	0.087	4	108.3440	0.087	4	108.3440	0.087	4	107.5585	1.802	12	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[3x6]	C[5a,6]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	108.1870	0.209	2	108.3440	0.087	4	108.3440	0.087	4	108.3440	0.087	4	107.5585	1.802	12	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[3x6]	C[5a,6]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	108.8040	0.000	1	108.7430	0.007	2	108.7430	0.007	2	108.7430	0.007	2	107.5585	1.802	12	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[3x6]	C[5a,6]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	108.6820	0.000	1	108.7430	0.007	2	108.7430	0.007	2	108.7430	0.007	2	107.5585	1.802	12	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[3x6]	C[5a,6]	3:4:2:1:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[3x6]-4:O-2:H-1:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	107.5585	1.802	12	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[3x6]	C[5a,6]	4:3:4:4:	4:4:4:1:	3:3:4:	C[3x6]-4:C[5a,6]-3:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[3x6]CC)	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[3x6]CC){2|C<3>,2|C<4>,3|H<1>}	106.0927	0.684	3	106.0927	0.467	3	106.1166	0.249	5	106.1166	0.249	5	107.5585	1.802	12	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[3x6]	C[5a,6]	4:3:4:4:	4:4:4:1:	3:3:4:	C[3x6]-4:C[5a,6]-3:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[3x6]CC)	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[3x6]CC){2|C<3>,2|C<4>,3|H<1>}	105.9840	0.000	1	106.1525	0.057	2	106.1166	0.249	5	106.1166	0.249	5	107.5585	1.802	12	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[3x6]	C[5a,6]	4:3:4:4:	4:4:4:1:	3:3:4:	C[3x6]-4:C[5a,6]-3:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[3x6]CC)	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[3x6]CC){2|C<4>,2|H<1>,3|C<3>}	106.3210	0.000	1	106.1525	0.057	2	106.1166	0.249	5	106.1166	0.249	5	107.5585	1.802	12	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[4x6]	C[5a,6]	4:3:1:1:	4:3:4:3:	3:3:4:	C[4x6]-4:C[5a,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	113.4680	0.000	1	111.9240	2.261	4	111.9240	2.261	4	111.9240	2.261	4	111.5230	2.499	5	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[4x6]	C[5a,6]	4:3:1:1:	4:3:4:3:	3:3:4:	C[4x6]-4:C[5a,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	111.4093	1.342	3	111.9240	2.261	4	111.9240	2.261	4	111.9240	2.261	4	111.5230	2.499	5	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[4x6]	C[5a,6]	4:3:3:1:	4:4:3:3:	3:4:3:	C[4x6]-4:C[5a,6]-3:C[6a]-3:H-1:	C[3x6]-4:C[6]-4:C[6,6]-3:N[6,6]-3:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]O[6a])(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6]C[5a,6]C[6a]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[4x6]C[6a]H)(C[5a,6]N[5a]C[6])	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]O[6a])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6]C[5a,6]C[6a]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[4x6]C[6a]H)(C[5a,6]N[5a]C[6]){1|H<1>,1|N<3>,2|O<2>,3|C<4>,4|C<3>}	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	111.5230	2.499	5	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]N[6,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]N[6,6]H)(H)2{1|N<3>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH){1|N<3>,3|C<3>,5|H<1>}	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	108.8095	0.815	2	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	108.1710	0.000	1	108.1710	0.000	1	108.1710	0.000	1	108.8095	0.815	2	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	3:4:3:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|N<3>,2|H<1>,3|C<3>}	110.1027	0.306	3	110.1027	0.094	3	110.1027	0.094	3	110.1027	0.094	3	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5a,6]C[6,6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5a,6]C[6,6]H)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.4550	0.740	4	109.4550	0.548	4	109.4550	0.548	4	109.4550	0.548	4	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-4:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|N<4>,2|H<1>,3|C<3>}	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:2:4:3:	3:4:2:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:O[6]-2:C[6]-4:C[6]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2	C[6,6](C[6]C[5a,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6]C[5a,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[6,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6]N[5,6]O)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[6,6](C[6]C[5a,6]HH)(C[6]N[5,6]O)(N[6,6]C[6]2)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH){1|N<3>,4|C<3>,4|H<1>}	110.0360	0.000	1	110.0360	0.000	1	110.0360	0.000	1	108.5260	0.598	7	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	108.3015	0.837	2	108.3015	0.700	2	108.2743	0.186	6	108.5260	0.598	7	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(C[6]N[5,6]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(C[6]N[5,6]O)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	108.4930	0.000	1	108.4930	0.000	1	108.2743	0.186	6	108.5260	0.598	7	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH){1|N<3>,4|C<3>,4|H<1>}	108.1833	0.279	3	108.1833	0.078	3	108.2743	0.186	6	108.5260	0.598	7	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<2>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	111.6330	0.000	2	111.6330	0.000	2	111.6330	0.000	2	111.6330	0.000	2	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:3:4:4:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:2:2:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(H)2	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]HH)(O[6]C[6,6a])(OC)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(C[5a]O[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(H)2{1|H<1>,3|C<3>,3|O<2>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]HH)(O[6]C[6,6a])(OC){1|O<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(C[5a]O[5a]H){1|O<1>,2|C<4>,2|O<2>}	109.0722	0.645	4	109.0722	0.416	4	109.0722	0.416	4	109.0722	0.416	4	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[6,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5,6]N[6,6]H)(H)2	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)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5,6]N[6,6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	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>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.6470	0.000	1	109.6470	0.000	1	109.6470	0.000	1	110.4963	0.684	4	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	110.0420	0.000	1	110.7793	0.545	3	110.7793	0.545	3	110.4963	0.684	4	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	111.1480	0.525	2	110.7793	0.545	3	110.7793	0.545	3	110.4963	0.684	4	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.2120	0.000	1	109.2120	0.000	1	109.3171	0.589	8	109.3458	0.523	9	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.9610	0.000	1	109.7892	0.623	4	109.3171	0.589	8	109.3458	0.523	9	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){3|H<1>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.3987	0.139	3	109.7892	0.623	4	109.3171	0.589	8	109.3458	0.523	9	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]S)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.4770	0.000	1	108.4770	0.000	1	109.3171	0.589	8	109.3458	0.523	9	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	108.8455	0.446	2	108.8455	0.199	2	109.3171	0.589	8	109.3458	0.523	9	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.5750	0.000	1	109.5750	0.000	1	109.5750	0.000	1	109.3458	0.523	9	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]3)(H)2{1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<4>}	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C){1|C<4>,1|H<1>,3|C<3>}	111.0080	0.000	1	111.0966	0.825	5	111.0966	0.825	5	111.0966	0.825	5	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]3)(H)2{1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<4>}	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2{2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C){2|C<4>,3|C<3>}	111.1188	1.047	4	111.0966	0.825	5	111.0966	0.825	5	111.0966	0.825	5	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:3:4:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<3>,1|H<1>,2|C<4>}	111.7640	0.000	1	111.7640	0.000	1	111.7640	0.000	1	111.7640	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	111.2085	0.366	2	111.2085	0.134	2	110.3970	0.939	4	110.4118	0.740	6	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6,6]HH){2|C<3>,2|H<1>,3|C<4>}	109.4280	0.000	1	109.4280	0.000	1	110.3970	0.939	4	110.4118	0.740	6	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.7430	0.000	1	109.7430	0.000	1	110.3970	0.939	4	110.4118	0.740	6	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH){2|C<3>,2|H<1>,3|C<4>}	111.1040	0.000	1	111.1040	0.000	1	110.4415	0.878	2	110.4118	0.740	6	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6,6]HH){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	109.7790	0.000	1	109.7790	0.000	1	110.4415	0.878	2	110.4118	0.740	6	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6,6]N[5a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[5a,6]HH)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6]HH)(N[5a]O[5a])	C[6](C[5a,6]C[5a,6,6]N[5a])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[5a,6]HH)(H){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6]HH)(N[5a]O[5a]){1|H<1>,5|C<4>}	112.2460	0.431	2	112.2460	0.186	2	112.2460	0.186	2	110.2864	1.099	27	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	108.1230	0.000	1	108.1230	0.000	1	109.7965	1.341	11	110.2864	1.099	27	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){3|C<4>,4|H<1>}	110.1597	0.729	3	109.8382	1.113	9	109.7965	1.341	11	110.2864	1.099	27	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){1|O<2>,3|C<4>,3|H<1>}	110.2530	0.000	1	109.8382	1.113	9	109.7965	1.341	11	110.2864	1.099	27	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){3|C<4>,4|H<1>}	110.4750	0.604	3	109.8382	1.113	9	109.7965	1.341	11	110.2864	1.099	27	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	108.1935	0.056	2	109.8382	1.113	9	109.7965	1.341	11	110.2864	1.099	27	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){3|C<4>,4|H<1>}	111.0950	0.000	1	111.0950	0.000	1	109.7965	1.341	11	110.2864	1.099	27	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a]){2|C<4>,5|H<1>}	110.3914	0.588	14	110.3914	0.346	14	110.3914	0.346	14	110.2864	1.099	27	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[5a,6]HH)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2H)(H)2{1|N<2>,2|H<1>,2|N<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[5a,6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<3>,2|C<4>,2|H<1>}	109.6550	0.144	2	109.6550	0.021	2	109.6550	0.021	2	109.5430	0.311	18	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a]H){2|C<4>,4|H<1>}	109.6107	0.505	14	109.6107	0.255	14	109.6107	0.255	14	109.5430	0.311	18	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|O<2>,6|C<4>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C){2|C<4>,4|H<1>}	109.7230	0.000	1	108.9570	1.174	2	108.9570	1.174	2	109.5430	0.311	18	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C){2|C<4>,3|H<1>}	108.1910	0.000	1	108.9570	1.174	2	108.9570	1.174	2	109.5430	0.311	18	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:2:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]HH)2(O[6]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]HH)2(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:3:	3:3:4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]N[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]3)(H)2{1|O<1>,2|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH){2|C<4>,3|C<3>,4|H<1>}	112.6065	2.490	2	112.6065	6.199	2	112.6065	6.199	2	112.6065	6.199	2	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(N[5a]O[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){1|N<2>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(N[5a]O[5a]){5|C<4>}	109.4450	0.000	1	109.4725	0.002	2	109.4725	0.002	2	109.6790	0.129	3	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(N[5a]O[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(N[5a]O[5a]){5|C<4>}	109.5000	0.000	1	109.4725	0.002	2	109.4725	0.002	2	109.6790	0.129	3	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){3|H<1>,4|C<4>}	110.0920	0.000	1	110.0920	0.000	1	110.0920	0.000	1	109.6790	0.129	3	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[5a,6]HH)(CH3)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,2|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[5a,6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<3>,1|H<1>,3|C<4>}	110.7585	0.791	2	110.7585	0.626	2	110.7585	0.626	2	111.5861	0.350	33	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){3|C<4>,3|H<1>}	111.7212	0.507	28	111.7212	0.257	28	111.6395	0.304	31	111.5861	0.350	33	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,4|H<1>,6|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){5|C<4>}	110.8980	0.503	2	110.8767	0.128	3	111.6395	0.304	31	111.5861	0.350	33	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:4:3:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){3|C<3>,4|H<1>,5|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){5|C<4>}	110.8340	0.000	1	110.8767	0.128	3	111.6395	0.304	31	111.5861	0.350	33	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:2:1:	4:3:3:2:	3:3:4:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6]-3:N[6,6]-3:O-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H)	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HO){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	109.6620	0.000	1	109.6620	0.000	1	109.6620	0.000	1	109.6620	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:2:1:	4:3:4:4:	3:4:3:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H)	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	112.2170	0.000	1	112.2170	0.000	1	112.2170	0.000	1	112.2170	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:2:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:N-2:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H)	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2H)(C[6]O[6]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HN)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HN){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	110.7880	0.000	1	110.7880	0.000	1	110.7880	0.000	1	110.7880	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:3:1:	4:3:4:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:N-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCC)(H)	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCC)(H){1|N<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.6290	0.000	1	107.6290	0.000	1	107.6290	0.000	1	107.6290	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[5a,6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[5a,6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	111.8430	0.000	1	111.8430	0.000	1	111.8430	0.000	1	111.8430	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	112.9100	1.071	2	112.9100	1.146	2	112.9100	1.146	2	112.9100	1.146	2	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CNO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CNO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	110.9000	0.000	1	110.9000	0.000	1	111.1410	0.411	3	111.1410	0.411	3	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	111.8680	0.000	1	111.8680	0.000	1	111.1410	0.411	3	111.1410	0.411	3	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:3:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	110.6550	0.000	1	110.6550	0.000	1	111.1410	0.411	3	111.1410	0.411	3	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:3:3:	4:3:4:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-3:C-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(COO)2	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(COO)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]CC){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:1:	4:3:4:3:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H)	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){2|H<1>,3|C<4>,4|C<3>}	108.0217	1.060	4	108.0217	1.124	4	108.0217	1.124	4	108.0217	1.124	4	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CHHO)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H){1|C<3>,2|N<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	113.3800	0.745	3	113.3800	0.555	3	113.3800	0.555	3	113.3800	0.555	3	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:3:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:N-4:H-1:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCCH)(H)	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCCH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	106.7300	0.000	1	106.7300	0.000	1	106.7300	0.000	1	106.7300	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	110.6190	0.000	1	111.6420	2.093	2	111.6420	2.093	2	111.5183	1.092	3	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	112.6650	0.000	1	111.6420	2.093	2	111.6420	2.093	2	111.5183	1.092	3	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]CH){2|C<3>,2|C<4>,5|H<1>}	111.2710	0.000	1	111.2710	0.000	1	111.2710	0.000	1	111.5183	1.092	3	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	108.7860	0.000	1	108.8083	0.014	3	108.7560	0.313	7	108.7560	0.313	7	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[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>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	108.7010	0.000	1	108.8083	0.014	3	108.7560	0.313	7	108.7560	0.313	7	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	108.9380	0.000	1	108.8083	0.014	3	108.7560	0.313	7	108.7560	0.313	7	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	108.7168	0.782	4	108.7168	0.612	4	108.7560	0.313	7	108.7560	0.313	7	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:1:	4:4:4:3:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[5a,6]CH)(C[6]N[6]HH)(COO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[5a,6]CH)(C[6]N[6]HH)(COO){2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){2|H<1>,3|C<3>,4|C<4>}	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:2:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CO)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CO)(C[5a]C[5a]H){2|C<4>,4|H<1>}	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:4:	4:3:4:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC){2|H<1>,3|C<4>,4|C<3>}	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:4:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	110.3170	0.000	1	110.3170	0.000	1	110.3170	0.000	1	110.3170	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:4:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]CC)(N[5a]O[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<2>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]CC)(N[5a]O[5a]){2|C<4>,3|H<1>}	108.4680	0.000	1	108.3695	0.019	2	108.3695	0.019	2	107.0668	1.423	5	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:4:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]CC)(N[5a]O[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<2>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]CC)(N[5a]O[5a]){2|C<4>,3|H<1>}	108.2710	0.000	1	108.3695	0.019	2	108.3695	0.019	2	107.0668	1.423	5	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:4:4:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]CC)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]CC)(O[5a]N[5a]){2|C<4>,4|H<1>}	106.1983	0.089	3	106.1983	0.008	3	106.1983	0.008	3	107.0668	1.423	5	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	4:3:1:1:	4:4:4:1:	3:4:2:	C[6,6]-4:C[5a,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[6,6]C[3x6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[5a,6]HH)(H)	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6,6]HH)(O[5a]C[5a])	C[6](C[6,6]C[3x6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[5a,6]HH)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6,6]HH)(O[5a]C[5a]){1|N<3>,2|C<4>,4|H<1>}	110.6790	0.000	1	110.6790	0.000	1	110.6790	0.000	1	111.0130	0.223	2	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	4:3:1:1:	4:4:4:1:	3:4:2:	C[6,6]-4:C[5a,6]-3:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2	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)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6,6]HH)(O[5a]C[5a])	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,5|C<4>}	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>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6,6]HH)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	111.3470	0.000	1	111.3470	0.000	1	111.3470	0.000	1	111.0130	0.223	2	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	4:3:2:1:	4:4:4:4:	3:4:3:	C[6,6]-4:C[5a,6]-3:O-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C){3|C<4>,3|H<1>}	113.3850	0.000	1	113.3850	0.000	1	113.3850	0.000	1	113.3850	0.000	1	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5a,6]	4:3:4:1:	4:4:4:1:	3:4:3:	C[6,6]-4:C[5a,6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6]C[5a])(CH3)(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)	C[5a,6](C[5a,6]C[5,6]O[5a])(C[6]C[6,6]CH)(C[5a]C[5a]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6]C[5a])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|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>}	C[5a,6](C[5a,6]C[5,6]O[5a])(C[6]C[6,6]CH)(C[5a]C[5a]H){1|O<2>,2|C<4>,3|H<1>}	107.7683	0.247	3	107.7683	0.061	3	107.7683	0.061	3	107.7683	0.061	3	110.1922	2.422	178	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5a])(C[6]N[5a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H){1|H<1>,1|O<1>,3|N<3>,4|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2{1|O<1>,2|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5a])(C[6]N[5a]C[6]H){1|S<4>,2|N<3>,3|H<1>,4|C<3>}	107.8220	0.000	1	107.8220	0.000	1	107.8220	0.000	1	107.8220	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(O[6]C[6])(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(O[6]C[6])(H)2{1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	106.5980	0.000	1	106.5980	0.000	1	106.5980	0.000	1	106.5980	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]O[6]O)(H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[5a]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]C[5a]H)(C[6]O[6]O)(H)2{1|O<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[5a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	106.2470	0.000	1	106.2470	0.000	1	106.2470	0.000	1	107.8251	2.530	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]O)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]O)(H)2{1|O<2>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	109.2250	0.000	1	109.2250	0.000	1	107.0297	2.157	6	107.8251	2.530	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H){3|H<1>,6|C<3>}	106.1207	0.545	3	106.1207	0.297	3	107.0297	2.157	6	107.8251	2.530	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]O[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]O[6])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	107.2955	1.660	2	107.2955	2.754	2	107.0297	2.157	6	107.8251	2.530	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]C)(H)2{1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	108.6050	0.000	1	108.6050	0.000	1	109.0952	0.674	5	107.8251	2.530	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	109.9150	0.000	1	109.2177	0.798	4	109.0952	0.674	5	107.8251	2.530	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	110.0370	0.000	1	109.2177	0.798	4	109.0952	0.674	5	107.8251	2.530	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	108.4595	0.296	2	109.2177	0.798	4	109.0952	0.674	5	107.8251	2.530	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2{1|S<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	105.0400	0.000	1	105.0400	0.000	1	105.0400	0.000	1	105.3983	0.933	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){2|C<4>,2|H<1>,3|C<3>}	104.6630	0.000	1	105.5775	1.673	2	105.5775	1.673	2	105.3983	0.933	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	106.4920	0.000	1	105.5775	1.673	2	105.5775	1.673	2	105.3983	0.933	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){3|H<1>,4|C<3>}	107.4103	0.428	4	107.4103	0.183	4	107.4103	0.183	4	107.6688	0.472	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]O)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]O)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	107.6688	0.472	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:2:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H){1|O<2>,3|H<1>,5|C<3>}	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:2:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(CN)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(CN)(H){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,2|H<1>,4|C<3>}	104.8310	0.044	2	104.8310	0.002	2	104.8310	0.002	2	104.8310	0.002	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H){4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:3:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(H){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|N<3>,2|H<1>,4|C<3>}	103.8970	0.000	1	103.8970	0.000	1	103.8970	0.000	1	103.8970	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:C-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]CC)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[5,6]H)(COO)2	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]CC)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[5,6]H)(COO)2{1|N<3>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C){1|N<3>,8|C<3>}	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:4:1:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CCHH)(H){1|S<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	106.0785	0.650	2	106.0785	0.422	2	106.0785	0.422	2	106.0785	0.422	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:3:4:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	105.6880	0.000	1	105.6880	0.000	1	105.6880	0.000	1	105.6880	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]CH)(H)2{6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,6|C<3>}	109.3190	0.000	1	109.3190	0.000	1	109.2715	0.520	6	109.1093	0.617	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]C[6a]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]C[6a]H)(H)2{8|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,6|C<3>}	108.5010	0.625	2	108.5010	0.391	2	109.2715	0.520	6	109.1093	0.617	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){3|C<4>,4|C<3>,4|H<1>}	109.9530	0.267	2	109.7693	0.137	3	109.2715	0.520	6	109.1093	0.617	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,7|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2{5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	109.4020	0.000	1	109.7693	0.137	3	109.2715	0.520	6	109.1093	0.617	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:N[5]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[5]C[5]S[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[5]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[5]C[5]S[5])(C[6]C[6]HH)(H){1|C<4>,3|H<1>,3|O<1>,4|C<3>}	C[6](C[6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[5]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	108.1360	0.000	1	108.1360	0.000	1	108.1360	0.000	1	109.1093	0.617	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HO)(H)2	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HO)(H)2{1|S<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	109.7840	0.035	2	109.7840	0.001	2	109.7840	0.001	2	108.9770	1.954	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CC)(H)2	C[5a,6](N[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CC)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	107.3630	0.000	1	107.3630	0.000	1	107.3630	0.000	1	108.9770	1.954	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H){1|C<4>,3|C<3>,4|H<1>}	109.0790	0.277	2	109.0790	0.077	2	109.4527	0.457	3	108.9996	1.782	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	110.2000	0.000	1	110.2000	0.000	1	109.4527	0.457	3	108.9996	1.782	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(H)2{4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C){2|C<3>,2|H<1>,3|C<4>}	106.7910	0.000	1	106.7910	0.000	1	106.7910	0.000	1	108.9996	1.782	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]ClH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]S)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]ClH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]S){2|C<4>,3|H<1>,4|C<3>}	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	108.9996	1.782	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H){2|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,5|C<3>,5|H<1>}	106.3340	0.000	1	106.3340	0.000	1	108.1180	6.365	2	109.0955	5.810	4	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H){2|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){2|C<4>,4|H<1>,5|C<3>}	109.9020	0.000	1	109.9020	0.000	1	108.1180	6.365	2	109.0955	5.810	4	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	108.1700	0.000	1	108.1700	0.000	1	110.0730	7.243	2	109.0955	5.810	4	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H){4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	111.9760	0.000	1	111.9760	0.000	1	110.0730	7.243	2	109.0955	5.810	4	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:3:1:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CH)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CH)(COO)(H){1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	106.3980	0.000	1	106.3980	0.000	1	106.3980	0.000	1	106.3980	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,3|C<3>,4|H<1>}	108.4490	0.338	2	108.4490	0.114	2	108.4211	0.930	8	108.1689	1.387	9	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]O[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]O[5a]C){1|C<4>,3|C<3>,3|H<1>}	108.4890	0.000	1	108.4890	0.000	1	108.4211	0.930	8	108.1689	1.387	9	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H){2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O){1|C<4>,3|C<3>,4|H<1>}	107.8555	1.821	2	108.1177	1.864	3	108.4211	0.930	8	108.1689	1.387	9	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H){2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O){1|C<4>,3|H<1>,4|C<3>}	108.6420	0.000	1	108.1177	1.864	3	108.4211	0.930	8	108.1689	1.387	9	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H){2|H<1>,6|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H){1|C<4>,3|H<1>,4|C<3>}	107.7950	0.000	1	107.7950	0.000	1	108.4211	0.930	8	108.1689	1.387	9	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(COO)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<2>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	109.8340	0.000	1	109.8340	0.000	1	108.4211	0.930	8	108.1689	1.387	9	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	106.1510	0.000	1	106.1510	0.000	1	106.1510	0.000	1	108.1689	1.387	9	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO)2{1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,7|C<3>}	108.7760	0.000	1	108.7760	0.000	1	108.7760	0.000	1	108.7760	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	109.0440	0.000	1	109.0440	0.000	1	109.0440	0.000	1	109.0440	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:1:	4:4:4:3:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(CCHH)(COO)	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(CCHH)(COO){1|S<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:2:	4:4:2:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH)	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]O)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H){6|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]O)(C[5a]N[5a]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	107.1720	0.000	1	107.1720	0.000	1	107.1720	0.000	1	107.1720	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:3:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:N[6]-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6])(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6])(H)2{1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C){1|N<2>,5|C<3>,5|H<1>}	107.0940	0.000	1	107.0940	0.000	1	107.0940	0.000	1	107.0940	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]H)(H)2{1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C){1|N<3>,5|C<3>,5|H<1>}	107.3520	0.570	4	107.3520	0.325	4	107.3520	0.325	4	107.3520	0.325	4	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:3:	4:3:1:1:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]C)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]C)(O[5a]C[5a]){1|N<3>,2|C<3>,6|H<1>}	104.1470	0.000	1	104.1470	0.000	1	104.1470	0.000	1	104.1470	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	106.1150	0.008	2	106.1150	0.000	2	106.1150	0.000	2	106.1150	0.000	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:3:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]C)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]C)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>,4|H<1>}	107.0260	0.078	2	107.0260	0.006	2	107.0260	0.006	2	107.0260	0.006	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:3:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]N[5a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]N[5a]H)(H)2{1|N<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H){1|H<1>,1|N<3>,7|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,2|H<1>,4|C<3>}	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|H<1>}	114.6420	0.000	1	114.6420	0.000	1	114.6420	0.000	1	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]B[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[5a,6]HH)(H)2{1|B<4>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[5a,6]HH)(H)2{1|B<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]B[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	112.0270	0.231	2	112.0270	0.053	2	112.0270	0.053	2	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	115.7620	0.000	1	115.7620	0.000	1	115.7620	0.000	1	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]N[5,5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]N[5,5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	109.5660	0.000	1	109.5660	0.000	1	109.6219	1.456	15	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	107.5470	0.000	1	107.5470	0.000	1	109.6219	1.456	15	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH){1|B<4>,2|H<1>,3|C<3>}	109.7480	0.407	2	109.4063	0.433	3	109.6219	1.456	15	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	108.7230	0.000	1	109.4063	0.433	3	109.6219	1.456	15	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<2>,3|H<1>,4|C<3>}	110.8525	1.924	2	110.8525	3.702	2	109.6219	1.456	15	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6]HH){3|H<1>,4|C<3>}	110.4570	0.000	1	110.4570	0.000	1	109.6219	1.456	15	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<2>,3|H<1>}	110.1450	0.000	1	109.1705	1.899	2	109.6219	1.456	15	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH){2|H<1>,3|C<3>}	108.1960	0.000	1	109.1705	1.899	2	109.6219	1.456	15	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]HH){3|H<1>,4|C<3>}	111.0340	0.000	1	111.0340	0.000	1	109.6219	1.456	15	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(C[6]C[6]HH){2|H<1>,3|C<3>}	109.3648	1.013	4	109.3648	1.026	4	109.6219	1.456	15	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]S)(C[6]C[6]HH){2|H<1>,4|C<3>}	109.2520	0.000	1	109.2520	0.000	1	108.4833	0.609	3	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	108.0990	0.576	2	108.0990	0.331	2	108.4833	0.609	3	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	111.7900	0.918	2	111.0557	1.173	13	111.0557	1.173	13	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	110.9989	1.121	10	111.0557	1.173	13	111.0557	1.173	13	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){4|C<3>,4|H<1>}	110.1550	0.000	1	111.0557	1.173	13	111.0557	1.173	13	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6]HH)(H)2	C[6](N[5,5,6]C[5,5,6,6]2)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[5,5,6]C[5,5,6,6]2)(C[6]C[5a,6]HH)(H)2{1|N<3>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6,6]HH)(H)2	C[6](N[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	110.5020	0.000	1	110.5020	0.000	1	110.5020	0.000	1	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.3020	0.000	1	109.2410	2.251	2	109.6069	0.674	38	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	108.1800	0.000	1	109.2410	2.251	2	109.6069	0.674	38	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.2280	0.000	1	109.6858	0.580	34	109.6069	0.674	38	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	108.8080	0.218	2	109.6858	0.580	34	109.6069	0.674	38	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.7720	0.734	16	109.6858	0.580	34	109.6069	0.674	38	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	110.2225	0.325	2	109.6858	0.580	34	109.6069	0.674	38	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	107.9930	0.000	1	109.6858	0.580	34	109.6069	0.674	38	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	109.2720	0.000	1	109.6858	0.580	34	109.6069	0.674	38	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.6330	1.130	3	109.6858	0.580	34	109.6069	0.674	38	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.7160	0.460	2	109.6858	0.580	34	109.6069	0.674	38	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.5170	0.000	1	109.6858	0.580	34	109.6069	0.674	38	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	109.7220	0.000	1	109.6858	0.580	34	109.6069	0.674	38	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.5295	0.805	2	109.6858	0.580	34	109.6069	0.674	38	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	110.3915	0.504	2	109.6858	0.580	34	109.6069	0.674	38	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]S[5])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|O<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	108.6305	1.077	2	108.6305	1.160	2	109.6069	0.674	38	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]2)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[5a,6]HH)(H)2{1|C<4>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	111.2257	1.031	3	111.2257	1.063	3	111.0043	2.463	7	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|C<4>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	113.8460	0.000	1	110.8383	4.132	4	111.0043	2.463	7	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	109.5040	0.000	1	110.8383	4.132	4	111.0043	2.463	7	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	109.7110	0.000	1	110.8383	4.132	4	111.0043	2.463	7	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	110.2920	0.000	1	110.8383	4.132	4	111.0043	2.463	7	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.3982	0.272	6	109.5916	0.141	16	109.5916	0.141	16	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.7076	0.393	10	109.5916	0.141	16	109.5916	0.141	16	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	108.6930	0.368	2	108.9240	0.228	3	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.3860	0.000	1	108.9240	0.228	3	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	108.0790	0.000	1	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	109.9410	0.000	1	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	108.7685	0.358	4	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	110.3290	0.000	1	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	107.0110	0.000	1	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	108.6310	0.000	1	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	108.2494	0.895	9	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	106.7740	0.000	1	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.0710	0.000	1	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	109.6270	0.000	1	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	108.2958	1.320	5	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	107.3370	0.000	1	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.2325	0.248	2	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.6863	1.312	3	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	109.6380	0.000	1	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	108.0527	1.288	3	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.6074	0.509	7	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	110.5573	1.005	4	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	107.6360	0.000	1	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){2|C<3>,2|N<3>,4|H<1>}	107.8667	0.433	3	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	108.7990	0.000	1	108.8160	1.371	52	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	108.3530	0.000	1	108.6930	0.231	2	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	109.0330	0.000	1	108.6930	0.231	2	108.8174	1.262	57	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	110.4720	0.482	2	109.6562	1.190	4	109.6562	1.190	4	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	108.2590	0.000	1	109.6562	1.190	4	109.6562	1.190	4	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	109.4220	0.000	1	109.6562	1.190	4	109.6562	1.190	4	109.5893	1.948	159	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|S<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	109.0040	0.000	1	109.0040	0.000	1	109.0040	0.000	1	109.0148	2.209	4	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	111.1200	0.000	1	111.1200	0.000	1	111.1200	0.000	1	109.0148	2.209	4	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	107.9675	0.045	2	107.9675	0.002	2	107.9675	0.002	2	109.0148	2.209	4	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:2:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HO)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<3>}	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(H)2{1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(COO)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|H<1>,5|C<3>}	107.9770	0.000	1	107.9770	0.000	1	107.9770	0.000	1	108.6913	1.860	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(COO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	108.6913	1.860	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(COO)(H){1|O<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	108.6913	1.860	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]SiH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]O[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]SiH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]O[5a]H)(C[6]C[6]HH){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	111.0170	0.000	1	111.0170	0.000	1	111.0170	0.000	1	110.5243	1.397	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	110.2310	0.000	1	110.2310	0.000	1	110.1447	0.028	3	110.5243	1.397	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	110.1015	0.211	2	110.1015	0.045	2	110.1447	0.028	3	110.5243	1.397	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.4547	1.666	3	110.6051	2.084	8	110.6051	2.084	8	110.5243	1.397	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	112.7150	0.000	1	110.6051	2.084	8	110.6051	2.084	8	110.5243	1.397	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.9405	0.233	4	110.6051	2.084	8	110.6051	2.084	8	110.5243	1.397	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2{1|C<4>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	108.0880	0.000	1	109.8852	7.037	4	109.8852	7.037	4	110.3183	5.260	13	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2{3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	110.4843	2.899	3	109.8852	7.037	4	109.8852	7.037	4	110.3183	5.260	13	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>}	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	110.3183	5.260	13	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<2>,3|C<3>,5|H<1>}	107.7980	0.000	1	107.8190	0.001	2	107.8190	0.001	2	110.3183	5.260	13	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	107.8400	0.000	1	107.8190	0.001	2	107.8190	0.001	2	110.3183	5.260	13	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]O[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HH){1|O<2>,2|H<1>,4|C<3>}	111.3635	0.148	2	111.3635	0.022	2	111.3635	0.022	2	110.3183	5.260	13	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(S[6]C[6,6a])(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(S[6]C[6,6a])(H)2{1|N<2>,2|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|S<2>,2|N<2>,3|H<1>}	110.0960	0.000	1	110.0960	0.000	1	110.0960	0.000	1	110.3183	5.260	13	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(S[6]C[6])(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(S[6]C[6])(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	112.8333	0.413	3	112.8333	0.171	3	112.8333	0.171	3	110.3183	5.260	13	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:2:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]S[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2{1|S<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]S[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	106.9370	0.000	1	106.9370	0.000	1	106.9370	0.000	1	106.9370	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:2:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6])(COO)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6])(COO)(H){1|C<3>,1|N<3>,1|O<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:2:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2{1|N<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	106.9000	0.000	1	106.9000	0.000	1	108.2073	1.382	3	108.2073	1.382	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:2:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2{1|N<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>}	108.8610	0.448	2	108.8610	0.201	2	108.2073	1.382	3	108.2073	1.382	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	110.8060	0.000	1	110.8060	0.000	1	110.4040	0.323	2	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6a]N[6])(H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[6](C[6]C[5a,6]HH)(C[6]C[6a]N[6])(H)2{4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[6]HH){2|C<3>,2|H<1>}	110.0020	0.000	1	110.0020	0.000	1	110.4040	0.323	2	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.6770	0.000	1	107.6770	0.000	1	108.9630	8.751	5	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|N<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	107.0920	0.000	1	107.0920	0.000	1	108.9630	8.751	5	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|N<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	108.8830	0.000	1	108.8830	0.000	1	108.9630	8.751	5	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6])(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|N<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){3|C<3>,3|H<1>}	114.0890	0.000	1	114.0890	0.000	1	108.9630	8.751	5	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]N[6]O)(H)2	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[6](C[6]C[5a,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.0740	0.000	1	107.0740	0.000	1	108.9630	8.751	5	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,3|C<3>,4|H<1>}	113.6976	1.262	5	113.6976	1.593	5	113.6976	1.593	5	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|S<2>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<2>,1|N<3>,4|H<1>}	111.1350	0.000	1	110.8220	0.258	6	110.0448	1.738	9	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<2>,1|N<3>,4|H<1>}	110.9750	0.000	1	110.8220	0.258	6	110.0448	1.738	9	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){2|N<3>,4|H<1>}	110.7055	0.610	4	110.8220	0.258	6	110.0448	1.738	9	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>}	108.9540	0.669	2	108.9540	0.447	2	110.0448	1.738	9	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2{1|O<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	107.5630	0.000	1	107.5630	0.000	1	110.0448	1.738	9	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	106.6370	0.000	1	106.6370	0.000	1	107.6316	0.752	9	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	108.0280	0.000	1	108.0280	0.000	1	107.6316	0.752	9	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,4|H<1>}	106.6795	0.682	2	106.6795	0.466	2	107.6316	0.752	9	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,5|H<1>}	107.7740	0.000	1	107.7740	0.000	1	107.6316	0.752	9	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	108.7205	0.319	2	108.7205	0.102	2	107.6316	0.752	9	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,6|H<1>}	107.5240	0.000	1	107.5240	0.000	1	107.6316	0.752	9	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,4|H<1>}	107.9210	0.000	1	107.9210	0.000	1	107.6316	0.752	9	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	107.4995	0.993	2	108.4584	0.535	12	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	108.3000	0.429	3	108.4584	0.535	12	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	108.5590	0.000	1	108.4584	0.535	12	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	107.8580	0.000	1	108.4584	0.535	12	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	108.5650	0.000	1	108.4584	0.535	12	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	108.8070	0.000	1	108.4584	0.535	12	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	109.1240	0.006	2	108.4584	0.535	12	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	109.5650	0.000	1	108.4584	0.535	12	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	108.4910	0.000	1	108.4910	0.000	1	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<2>,2|N<2>,4|H<1>}	110.1470	0.000	1	109.6954	0.188	8	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	109.3550	0.000	1	109.6954	0.188	8	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	108.7920	0.000	1	109.6954	0.188	8	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,2|N<3>,4|H<1>}	109.8538	0.113	5	109.6954	0.188	8	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.0030	0.000	1	110.0202	4.288	5	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	108.7820	0.000	1	110.0202	4.288	5	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	107.9820	0.000	1	110.0202	4.288	5	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.1670	1.102	2	110.0202	4.288	5	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2{1|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	108.9523	0.811	3	108.9523	0.657	3	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	107.9920	0.000	1	107.9920	0.000	1	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.4290	0.000	1	110.4290	0.000	1	109.1269	1.369	31	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	109.4506	3.807	62	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,2|N<3>,4|H<1>}	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	108.3777	0.279	14	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,6|H<1>}	108.0828	0.440	4	108.2108	0.184	11	108.2945	0.197	13	108.3777	0.279	14	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,1|O<2>,5|H<1>}	107.8860	0.078	3	108.2108	0.184	11	108.2945	0.197	13	108.3777	0.279	14	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,6|H<1>}	108.5825	0.322	4	108.2108	0.184	11	108.2945	0.197	13	108.3777	0.279	14	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,6|H<1>}	108.7550	0.173	2	108.7550	0.030	2	108.2945	0.197	13	108.3777	0.279	14	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:2:1:	3:2:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	106.0440	0.000	2	106.0440	0.000	2	106.0440	0.000	2	106.0440	0.000	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:2:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|S<4>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	106.7710	0.000	2	106.7710	0.000	2	106.7710	0.000	2	107.1217	0.369	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:2:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H){1|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	107.1217	0.369	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:2:4:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]C)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]C)(H)2{1|N<3>,5|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	106.9270	0.000	1	106.9270	0.000	1	106.9270	0.000	1	106.9270	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,6|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){3|H<1>,4|C<3>}	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	108.4867	1.117	18	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(CNO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(CNO)(H){2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	109.2060	0.000	1	109.2060	0.000	1	108.3986	1.038	17	108.4867	1.117	18	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(COO)(H){2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	108.4143	0.292	3	108.4143	0.085	3	108.3986	1.038	17	108.4867	1.117	18	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	110.1540	0.000	1	108.9324	2.288	5	108.3986	1.038	17	108.4867	1.117	18	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	106.9440	0.000	1	108.9324	2.288	5	108.3986	1.038	17	108.4867	1.117	18	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|I<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	107.6820	0.000	1	108.9324	2.288	5	108.3986	1.038	17	108.4867	1.117	18	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	109.9410	0.327	2	108.9324	2.288	5	108.3986	1.038	17	108.4867	1.117	18	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(CNO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(CNO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	107.7310	0.000	1	107.7310	0.000	1	108.3986	1.038	17	108.4867	1.117	18	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.0640	0.000	1	107.9906	0.601	7	108.3986	1.038	17	108.4867	1.117	18	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	107.1320	0.000	1	107.9906	0.601	7	108.3986	1.038	17	108.4867	1.117	18	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	108.0540	1.121	2	107.9906	0.601	7	108.3986	1.038	17	108.4867	1.117	18	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|N<3>,3|C<3>,3|H<1>}	108.2870	0.000	1	107.9906	0.601	7	108.3986	1.038	17	108.4867	1.117	18	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|O<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	107.6715	0.398	2	107.9906	0.601	7	108.3986	1.038	17	108.4867	1.117	18	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	108.4780	0.000	1	108.4780	0.000	1	110.2453	3.422	3	110.2778	1.944	6	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	112.1680	0.000	1	112.1680	0.000	1	110.2453	3.422	3	110.2778	1.944	6	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	110.0900	0.000	1	110.0900	0.000	1	110.2453	3.422	3	110.2778	1.944	6	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H){1|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	109.9760	0.000	1	109.9760	0.000	1	110.3103	1.435	3	110.2778	1.944	6	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H){1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	110.4775	1.644	2	110.4775	2.703	2	110.3103	1.435	3	110.2778	1.944	6	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:4:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	109.0810	0.000	1	109.0810	0.000	1	108.7065	0.281	2	108.7065	0.281	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:4:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2{2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.3320	0.000	1	108.3320	0.000	1	108.7065	0.281	2	108.7065	0.281	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6,6]O)(CH3)2	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6]CC)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6,6]O)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	112.1040	0.000	1	112.1040	0.000	1	112.1040	0.000	1	112.1040	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.3100	0.000	1	108.1645	0.109	4	108.1645	0.109	4	109.8603	1.779	26	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	108.2300	0.471	2	108.1645	0.109	4	108.1645	0.109	4	109.8603	1.779	26	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.8880	0.000	1	108.1645	0.109	4	108.1645	0.109	4	109.8603	1.779	26	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	109.8238	0.930	17	109.8238	0.866	17	109.8599	0.927	19	109.8603	1.779	26	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a,5a]C[6])(S[5a]C[5a,5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]N[5a,5a]C[6])(S[5a]C[5a,5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	109.0230	0.000	1	109.0230	0.000	1	109.8599	0.927	19	109.8603	1.779	26	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	111.3110	0.000	1	111.3110	0.000	1	109.8599	0.927	19	109.8603	1.779	26	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	111.4950	0.000	1	111.4950	0.000	1	112.1233	0.296	3	109.8603	1.779	26	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	112.4375	0.025	2	112.4375	0.001	2	112.1233	0.296	3	109.8603	1.779	26	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5a,6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,1|S<2>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(H)2{1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	112.6010	0.000	1	112.6010	0.000	1	112.6010	0.000	1	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	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>}	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	107.1665	0.480	2	107.1665	0.231	2	108.3287	1.898	4	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	109.3170	0.000	1	109.3170	0.000	1	108.3287	1.898	4	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	109.6650	0.000	1	109.6650	0.000	1	108.3287	1.898	4	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	110.2715	0.025	2	110.2715	0.001	2	110.2715	0.001	2	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5a,6]HH)(H)2{4|C<3>}	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	111.2370	0.000	1	111.2370	0.000	1	111.2370	0.000	1	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.1295	0.097	2	109.1295	0.009	2	108.5610	0.886	5	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	108.6600	1.042	2	108.6600	1.086	2	108.5610	0.886	5	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<2>}	C[6](C[6,6]C[6]2O[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	107.2260	0.000	1	107.2260	0.000	1	108.5610	0.886	5	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]C[6]HH){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5,5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)(H)2	C[5a,6](C[5,5a,6]Se[5,5a]C[5,6])(C[5a]O[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5,5a,6]C[5a])(C[6]C[6]HH)(H)2{1|Se<3>,1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)(H)2{3|C<3>}	C[5a,6](C[5,5a,6]Se[5,5a]C[5,6])(C[5a]O[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.3390	0.515	2	110.3390	0.265	2	110.3390	0.265	2	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	110.1110	0.000	1	110.1110	0.000	1	110.1110	0.000	1	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	110.9420	0.402	2	110.9420	0.161	2	111.1266	0.355	5	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<3>,2|C<4>,4|H<1>}	110.5070	0.000	1	110.5070	0.000	1	111.1266	0.355	5	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2{1|C<4>,3|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	111.6210	0.564	2	111.6210	0.318	2	111.1266	0.355	5	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]O[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(H)2{3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]O[5a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	108.9131	0.995	8	108.9131	0.989	8	108.9131	0.989	8	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|B<4>,1|C<3>,2|C<4>,5|H<1>}	109.4970	0.000	1	110.1588	0.439	12	110.1588	0.439	12	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|B<4>,1|C<4>,1|I<1>,2|C<3>,4|H<1>}	110.4032	0.148	4	110.1588	0.439	12	110.1588	0.439	12	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	110.1137	0.824	7	110.1588	0.439	12	110.1588	0.439	12	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	110.2860	0.000	1	110.2860	0.000	1	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6]HH){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	109.9330	0.000	1	109.9330	0.000	1	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[6a])(C[6]C[6]HH){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	110.1927	0.537	7	110.1927	0.288	7	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]I)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]I)(C[6]C[6]HH){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	110.0388	1.027	4	110.0388	1.054	4	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	110.0800	0.000	1	110.3450	0.238	3	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	110.4775	0.609	2	110.3450	0.238	3	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.0650	0.000	1	110.0650	0.288	3	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<4>,5|H<1>}	110.6020	0.000	1	110.0650	0.288	3	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	109.5280	0.000	1	110.0650	0.288	3	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	110.0230	0.000	1	110.0230	0.000	1	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]B[5])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]B[5])(C[6]C[6]HH){1|B<3>,1|C<4>,2|O<2>,4|H<1>}	111.5830	0.600	2	111.5830	0.360	2	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	110.3500	0.000	1	109.6230	1.057	2	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	108.8960	0.000	1	109.6230	1.057	2	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,5|H<1>}	110.0790	0.000	1	110.4718	0.246	4	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,2|C<4>,4|H<1>}	110.4995	0.685	2	110.4718	0.246	4	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	110.8090	0.000	1	110.4718	0.246	4	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>}	110.1740	0.000	1	109.6540	0.541	2	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	109.1340	0.000	1	109.6540	0.541	2	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	108.6640	0.000	1	108.6640	0.000	1	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	107.6870	0.000	1	107.6870	0.000	1	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,4|H<1>}	110.8756	0.740	10	111.3436	0.555	39	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>}	110.8390	0.366	3	111.3436	0.555	39	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	111.2600	0.000	1	111.3436	0.555	39	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,4|H<1>}	111.6126	0.766	13	111.3436	0.555	39	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>}	111.5752	0.626	12	111.3436	0.555	39	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>}	111.4070	0.000	1	111.4070	0.000	1	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6]N[6])(C[5a]C[5a,6]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[6])(C[5a]C[5a,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	109.4620	0.000	1	109.4620	0.000	1	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6a]N[6])(C[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[5a,6](C[5a,6]N[5a,6a]N[6])(C[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	109.9775	0.590	2	109.9775	0.349	2	110.7488	1.013	75	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]CH)(H)2{1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	109.2710	0.000	1	109.2710	0.000	1	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.0400	0.000	1	109.0400	0.000	1	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	109.0045	0.511	2	109.0297	0.133	3	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.0800	0.000	1	109.0297	0.133	3	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	109.3770	0.000	1	109.3770	0.000	1	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	109.2830	0.000	1	108.8332	0.093	5	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	108.9720	0.000	1	108.8332	0.093	5	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.5770	0.000	1	108.8332	0.093	5	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	108.5480	0.000	1	108.8332	0.093	5	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	108.7860	0.000	1	108.8332	0.093	5	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[5])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[5])(C[6]C[6]HH){1|Hf<12>,2|C<3>,3|C<4>,4|H<1>}	111.5530	0.000	1	111.5530	0.000	1	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	108.7194	0.578	8	108.7254	0.335	10	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.3300	0.000	1	108.7254	0.335	10	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|S<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	108.1690	0.000	1	108.7254	0.335	10	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.7185	0.296	2	108.7185	0.088	2	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.1260	0.000	1	110.1260	0.000	1	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	108.1920	0.000	1	108.3657	0.139	3	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){1|C<2>,1|C<4>,5|H<1>}	108.4525	0.483	2	108.3657	0.139	3	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	108.0490	0.000	1	108.5810	0.213	3	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<1>,2|N<2>,3|H<1>}	108.8810	0.000	1	108.5810	0.213	3	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	108.8130	0.000	1	108.5810	0.213	3	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,5|H<1>}	109.5610	0.000	1	109.5610	0.000	1	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]N)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]N)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	109.7790	0.000	1	109.7790	0.000	1	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	109.9390	0.000	1	109.4682	0.143	5	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	109.3505	0.314	4	109.4682	0.143	5	109.0219	0.481	38	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	109.5150	0.000	1	109.5150	0.000	1	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<4>,2|C<3>,3|H<1>}	110.1585	0.139	2	110.2246	0.102	5	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	110.1030	0.000	1	110.2246	0.102	5	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	110.7590	0.000	1	110.2246	0.102	5	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.9440	0.000	1	110.2246	0.102	5	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	110.4280	0.000	2	110.4280	0.000	2	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	111.6100	0.000	1	111.6100	0.000	1	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	111.2380	0.000	1	111.2380	0.000	1	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	110.9180	0.000	1	110.0342	0.672	27	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.3390	0.000	1	110.0342	0.672	27	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	110.5700	0.000	1	110.0342	0.672	27	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	109.8386	0.613	8	110.0342	0.672	27	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	113.1080	0.000	1	110.0342	0.672	27	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	109.8870	0.358	2	110.0342	0.672	27	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	109.7730	0.000	1	110.0342	0.672	27	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	109.5639	0.167	7	110.0342	0.672	27	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.7875	0.392	2	110.0342	0.672	27	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	110.0700	0.373	3	110.0342	0.672	27	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	109.2845	0.534	2	109.2845	0.285	2	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	111.1350	1.045	8	111.1461	0.663	15	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	110.5745	0.129	2	111.1461	0.663	15	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|N<2>,4|H<1>}	111.3380	0.447	4	111.1461	0.663	15	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){2|C<4>,2|N<2>,4|H<1>}	111.6100	0.000	1	111.1461	0.663	15	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	113.3220	0.000	1	113.3220	0.000	1	110.4427	0.989	55	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.7470	0.885	4	109.5587	0.555	6	109.3814	0.661	8	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	109.1820	0.000	2	109.5587	0.555	6	109.3814	0.661	8	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<4>,4|H<1>}	108.1070	0.000	1	108.8495	1.103	2	109.3814	0.661	8	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	109.5920	0.000	1	108.8495	1.103	2	109.3814	0.661	8	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]N[5a,5a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,5a]C[5a,5a]C[5a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]N[5a,5a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,5a]C[5a,5a]C[5a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<4>,4|H<1>}	111.9470	0.000	1	111.9470	0.000	1	111.9470	0.000	1	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH){1|N<4>,4|H<1>}	108.2243	0.409	3	108.2243	0.167	3	108.2243	0.167	3	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,4|H<1>}	108.6120	0.000	1	108.6120	0.000	1	108.6120	0.000	1	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<4>,2|C<3>,6|H<1>}	109.4750	0.000	1	109.4750	0.000	1	109.9588	0.613	6	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	110.1848	0.904	4	110.0556	0.697	5	109.9588	0.613	6	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<4>,3|C<3>,5|H<1>}	109.5390	0.000	1	110.0556	0.697	5	109.9588	0.613	6	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6,6]HH)(H)2	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	111.1950	0.000	1	111.1950	0.000	1	111.1950	0.000	1	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<4>,3|C<3>,4|H<1>}	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	109.5110	0.127	3	109.5110	0.016	3	109.6167	0.014	11	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]O[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]O[5a])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	109.6115	0.039	6	109.6115	0.002	6	109.6167	0.014	11	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	109.7910	0.086	2	109.7910	0.007	2	109.6167	0.014	11	110.0893	1.385	246	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	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>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	108.5995	0.586	2	108.5995	0.344	2	108.5995	0.344	2	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6]S[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[6,6]S[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	110.3467	0.553	3	110.3467	0.306	3	110.3467	0.306	3	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]HH)(O[5a]C[5a]){2|C<4>,5|H<1>}	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]HH)(S[5a]C[5a]){1|Cl<1>,3|C<4>,3|H<1>}	109.7155	0.416	2	109.7155	0.173	2	109.7155	0.173	2	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	108.5610	0.000	1	108.5610	0.000	1	107.8370	1.048	2	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	107.1130	0.000	1	107.1130	0.000	1	107.8370	1.048	2	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,2|C<4>,4|H<1>}	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]O[5a])	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	108.9140	0.000	1	108.9140	0.000	1	108.9140	0.000	1	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,5|H<1>}	111.3240	0.000	1	110.9375	0.299	2	110.3850	1.065	3	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	110.5510	0.000	1	110.9375	0.299	2	110.3850	1.065	3	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	109.2800	0.000	1	109.2800	0.000	1	110.3850	1.065	3	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	107.3930	0.000	1	107.2270	0.024	3	107.7636	0.646	7	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	107.1440	0.081	2	107.2270	0.024	3	107.7636	0.646	7	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	108.1660	0.879	4	108.1660	0.772	4	107.7636	0.646	7	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|S<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<4>,1|N<2>,4|H<1>}	110.3620	0.000	1	109.2225	2.597	2	109.6351	0.413	41	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	108.0830	0.000	1	109.2225	2.597	2	109.6351	0.413	41	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<2>,1|C<4>,1|N<2>,4|H<1>}	109.2736	0.675	10	109.6442	0.361	38	109.6351	0.413	41	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	109.6237	0.264	3	109.6442	0.361	38	109.6351	0.413	41	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	109.9362	0.464	13	109.6442	0.361	38	109.6351	0.413	41	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	109.6419	0.606	12	109.6442	0.361	38	109.6351	0.413	41	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<4>,1|O<2>,5|H<1>}	110.1160	0.000	1	110.1160	0.000	1	109.6351	0.413	41	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]FH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]FH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,6|H<1>}	111.2720	0.000	1	111.2720	0.000	1	111.2720	0.000	1	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,1|N<3>,1|N<4>,4|H<1>}	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a]){1|N<4>,1|O<2>,4|H<1>}	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<4>,6|H<1>}	109.6700	0.000	1	109.6700	0.000	1	109.6700	0.000	1	109.3664	1.016	67	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:2:1:	3:2:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.4980	0.000	1	108.4980	0.000	1	108.4980	0.000	1	107.6813	0.500	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:2:1:	3:2:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]2H)(O[6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O[6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]2H)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.2730	0.000	2	107.2730	0.000	2	107.2730	0.000	2	107.6813	0.500	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:2:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]O[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<4>,2|O<2>,3|H<1>}	108.4480	0.000	2	108.4480	0.000	2	108.4480	0.000	2	108.7200	0.061	6	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:2:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(H)2{1|C<4>,2|O<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	108.8560	0.165	4	108.8560	0.027	4	108.8560	0.027	4	108.7200	0.061	6	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CC[6a]O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	108.5930	0.611	4	108.5930	0.373	4	108.5930	0.373	4	109.3146	1.389	16	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|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>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,2|N<2>,4|C<3>}	107.8770	0.000	1	107.8770	0.000	1	110.1570	4.118	3	109.3146	1.389	16	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	111.2970	0.662	2	111.2970	0.438	2	110.1570	4.118	3	109.3146	1.389	16	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.9630	0.000	1	109.9630	0.000	1	109.9630	0.000	1	109.3146	1.389	16	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H){3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.4530	0.273	2	109.4530	0.074	2	109.1470	0.573	4	109.3146	1.389	16	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H){3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	108.0440	0.000	1	108.0440	0.000	1	109.1470	0.573	4	109.3146	1.389	16	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H){3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	109.6380	0.000	1	109.6380	0.000	1	109.1470	0.573	4	109.3146	1.389	16	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	108.0350	0.000	1	108.0350	0.000	1	108.0350	0.000	1	109.3146	1.389	16	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H){1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<4>,4|C<3>,4|H<1>}	110.7800	0.000	1	110.7800	0.000	1	110.4865	0.172	2	109.3146	1.389	16	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<4>,3|C<3>,4|H<1>}	110.1930	0.000	1	110.1930	0.000	1	110.4865	0.172	2	109.3146	1.389	16	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	109.3146	1.389	16	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(COO)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(COO)2{3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,1|S<4>,6|C<3>}	109.4967	0.837	3	109.4967	0.700	3	109.4967	0.700	3	109.5412	0.475	4	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	109.5412	0.475	4	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:3:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(COO)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(COO)2{1|O<2>,2|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]C[5a]){2|C<4>,4|C<3>}	106.1560	0.000	1	106.1560	0.000	1	106.1560	0.000	1	106.6670	0.556	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:3:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)2{1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){2|C<4>,4|C<3>}	107.5230	0.000	1	106.9225	0.721	2	106.9225	0.721	2	106.6670	0.556	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:3:3:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)2{1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){3|C<3>,3|C<4>}	106.3220	0.000	1	106.9225	0.721	2	106.9225	0.721	2	106.6670	0.556	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CCHH)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	110.3390	0.000	1	110.3390	0.000	1	110.3390	0.000	1	110.3318	3.336	20	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(CHHO)(H)	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	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>}	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	107.2620	0.000	1	107.2620	0.000	1	107.8090	0.598	2	110.3318	3.336	20	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5a,6]HH)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|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>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	108.3560	0.000	1	108.3560	0.000	1	107.8090	0.598	2	110.3318	3.336	20	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6,6]C[6]3)(CH3)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6,6]C[6]3)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	110.8760	0.181	2	110.8760	0.033	2	110.8760	0.033	2	110.3318	3.336	20	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(Cl)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClC)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(Cl){2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	112.7010	0.000	1	112.7010	0.000	1	112.7010	0.000	1	110.3318	3.336	20	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]ClC)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]ClC)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	111.2640	0.000	1	111.2640	0.000	1	110.3020	1.263	3	110.3318	3.336	20	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	109.0670	0.000	1	109.0670	0.000	1	110.3020	1.263	3	110.3318	3.336	20	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	110.5750	0.000	1	110.5750	0.000	1	110.3020	1.263	3	110.3318	3.336	20	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	110.7300	0.000	1	110.7300	0.000	1	110.1823	0.369	3	110.3318	3.336	20	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	109.9085	0.537	2	109.9085	0.288	2	110.1823	0.369	3	110.3318	3.336	20	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	111.1200	0.000	1	111.1200	0.000	1	112.4237	0.942	4	110.3318	3.336	20	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	112.2840	0.000	1	112.2840	0.000	1	112.4237	0.942	4	110.3318	3.336	20	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.1455	0.257	2	113.1455	0.066	2	112.4237	0.942	4	110.3318	3.336	20	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	108.7692	1.861	4	108.7692	3.464	4	108.7692	3.464	4	110.3318	3.336	20	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]CH)(CH3)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]CH)(CH3)(H){2|C<3>,2|O<2>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	109.0390	0.000	1	109.0390	0.000	1	109.0390	0.000	1	109.6290	0.696	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	109.6290	0.696	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:2:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	109.3690	0.511	2	109.3690	0.261	2	109.3690	0.261	2	110.1720	2.065	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:2:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC){2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	110.1720	2.065	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:2:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.0570	0.296	2	110.3390	0.282	3	110.0245	0.584	4	110.0245	0.584	4	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:2:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	110.9030	0.000	1	110.3390	0.282	3	110.0245	0.584	4	110.0245	0.584	4	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:2:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]O[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]O[5a]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	109.0810	0.000	1	109.0810	0.000	1	110.0245	0.584	4	110.0245	0.584	4	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:3:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:C-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CS)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(SC[6a]OO)(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CS)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(SC[6a]OO)(COO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	108.3490	0.000	1	108.3490	0.000	1	108.3490	0.000	1	108.3490	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:2:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a,6]C[6])(O[5a]C[5a,6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[5a,6](C[5a,6]C[5a,6]C[6])(O[5a]C[5a,6])(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	110.4240	0.000	1	110.4240	0.000	1	110.0870	0.227	2	110.3780	0.368	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:2:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	109.7500	0.000	1	109.7500	0.000	1	110.0870	0.227	2	110.3780	0.368	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:2:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>}	110.9600	0.000	1	110.9600	0.000	1	110.9600	0.000	1	110.3780	0.368	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6,6a]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(CH3)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(CH3)2{1|C<3>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<2>,3|C<4>,4|C<3>}	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	110.3423	0.207	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	110.5100	0.024	2	110.5100	0.001	2	110.3769	0.199	16	110.3423	0.207	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	111.4730	0.000	1	111.4730	0.000	1	110.3769	0.199	16	110.3423	0.207	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){1|O<1>,5|C<4>}	110.3970	0.000	1	110.3970	0.000	1	110.3769	0.199	16	110.3423	0.207	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	110.0660	0.000	1	110.2728	0.157	11	110.3769	0.199	16	110.3423	0.207	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	110.3350	0.000	1	110.2728	0.157	11	110.3769	0.199	16	110.3423	0.207	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	110.2251	0.346	7	110.2728	0.157	11	110.3769	0.199	16	110.3423	0.207	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	110.5120	0.819	2	110.2728	0.157	11	110.3769	0.199	16	110.3423	0.207	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	110.1400	0.000	1	110.1400	0.000	1	110.3769	0.199	16	110.3423	0.207	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	109.1310	0.000	1	109.4390	0.071	3	109.0378	0.432	5	109.0378	0.432	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|H<1>,1|O<1>,4|C<4>}	109.6070	0.000	1	109.4390	0.071	3	109.0378	0.432	5	109.0378	0.432	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|O<1>,2|C<3>,3|C<4>}	109.5790	0.000	1	109.4390	0.071	3	109.0378	0.432	5	109.0378	0.432	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,1|O<1>,3|C<4>}	108.4360	0.615	2	108.4360	0.378	2	109.0378	0.432	5	109.0378	0.432	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	3:4:4:1:	3:4:2:	C[5a,6]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[6]C[6]CH)(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H){2|C<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[6]C[6]CH)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(O[6]C[6])(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H){1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HO)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	107.1560	0.000	1	107.1560	0.000	1	107.1560	0.000	1	107.1560	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:3:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HO)(N[5a]C[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)2{1|H<1>,1|N<2>,1|N<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HO)(N[5a]C[5a]){3|C<3>,3|H<1>}	109.7570	0.000	1	109.7570	0.000	1	109.7570	0.000	1	109.7570	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HO)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]S)(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H){1|C<4>,1|H<1>,1|S<4>,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>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]S)(C[6]C[6]HO){1|C<3>,1|C<4>,5|H<1>}	108.6120	0.000	1	108.6120	0.000	1	108.6120	0.000	1	109.2287	0.891	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO){2|C<3>,2|C<4>,2|H<1>}	110.3540	0.000	1	110.3540	0.000	1	110.3540	0.000	1	109.2287	0.891	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,4|H<1>}	109.1980	0.000	1	109.1980	0.000	1	109.1980	0.000	1	109.2287	0.891	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.0230	0.000	1	108.0230	0.000	1	108.1780	0.048	2	109.2287	0.891	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	108.3330	0.000	1	108.3330	0.000	1	108.1780	0.048	2	109.2287	0.891	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HO){1|C<4>,3|C<3>,4|H<1>}	109.7900	0.000	1	109.7900	0.000	1	110.0405	0.126	2	109.2287	0.891	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO){2|C<3>,2|C<4>,4|H<1>}	110.2910	0.000	1	110.2910	0.000	1	110.0405	0.126	2	109.2287	0.891	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HO)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HO)(O[5a]N[5a]){2|H<1>,4|C<4>}	108.3160	0.000	1	108.3160	0.000	1	107.7155	0.721	2	108.0670	0.731	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HO)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HO)(O[5a]N[5a]){2|H<1>,4|C<4>}	107.1150	0.000	1	107.1150	0.000	1	107.7155	0.721	2	108.0670	0.731	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2	C[5a,6](C[5a,6]C[3,6]N[5a])(C[6]C[6]HO)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[5a,6](C[5a,6]C[3,6]N[5a])(C[6]C[6]HO)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<4>}	108.7700	0.000	1	108.7700	0.000	1	108.7700	0.000	1	108.0670	0.731	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:2:1:	3:2:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<1>,1|O<2>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	108.2117	0.739	4	108.2117	0.546	4	108.0454	0.548	5	108.0454	0.548	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:2:1:	3:2:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<1>,1|O<2>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	107.3800	0.000	1	107.3800	0.000	1	108.0454	0.548	5	108.0454	0.548	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:2:1:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H){1|C<4>,3|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.9440	0.932	2	105.9440	0.869	2	107.9123	12.057	3	109.5334	6.893	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:2:1:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H){1|C<4>,3|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	111.8490	0.000	1	111.8490	0.000	1	107.9123	12.057	3	109.5334	6.893	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:2:1:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,4|H<1>}	110.9410	0.000	1	110.9410	0.000	1	110.1500	1.251	2	109.5334	6.893	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:2:1:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]H)(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,4|H<1>}	109.3590	0.000	1	109.3590	0.000	1	110.1500	1.251	2	109.5334	6.893	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:2:1:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<2>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.3485	0.872	2	111.3485	0.760	2	111.3485	0.760	2	109.5334	6.893	7	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	106.6610	0.000	1	106.6610	0.000	1	106.6610	0.000	1	106.6610	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:3:2:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN){1|H<1>,5|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	108.9370	0.000	1	108.9370	0.000	1	108.9370	0.000	1	108.9370	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[5a,6]HO)(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|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>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO){2|C<4>,4|H<1>}	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:4:3:	3:4:2:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HO)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH){1|C<3>,1|H<1>,2|O<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HO)(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:4:4:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	109.3250	0.000	1	109.3250	0.000	1	108.9775	0.242	2	108.9775	0.242	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:1:	4:4:4:4:	3:3:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	108.6300	0.000	1	108.6300	0.000	1	108.9775	0.242	2	108.9775	0.242	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:2:	3:4:2:2:	3:3:4:	C[5a,6]-3:C[6]-4:C-2:C-2:	C[6,6a]-3:C[6]-4:C-2:C-2:	C[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6]C[6,6a]CC)(CN)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CN)2	C[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6]C[6,6a]CC)(CN)2{2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CN)2{1|H<1>,4|C<3>}	C[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){2|C<2>,6|C<3>}	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:2:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CN)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CC)(CCHH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CN)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CC)(CCHH)(H){1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC){2|C<4>,3|H<1>,4|C<3>}	109.9370	0.000	1	109.9370	0.000	1	109.9370	0.000	1	109.9370	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(COO)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[5a,6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[5a,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	112.4300	0.000	1	112.4300	0.000	1	112.4300	0.000	1	112.4300	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:2:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H)	C[6](C[6]C[5a,6]CH)(O[6]C[6])(CCHO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]CH)(O[6]C[6])(CCHO)(H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	107.0330	0.058	2	107.0330	0.003	2	107.0330	0.003	2	107.0330	0.003	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2{3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){4|C<3>,4|H<1>}	110.8200	0.000	1	110.8200	0.000	1	110.8200	0.000	1	109.6402	4.575	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCC)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCC)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	108.1760	0.000	1	108.1760	0.000	1	108.1793	0.123	3	109.6402	4.575	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	108.5320	0.000	1	108.5320	0.000	1	108.1793	0.123	3	109.6402	4.575	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,3|C<3>,5|H<1>}	107.8300	0.000	1	107.8300	0.000	1	108.1793	0.123	3	109.6402	4.575	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(NCH)(H)	C[6](C[6]C[5a,6]HN)(N[6]S[6]C)(H)2	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<4>}	C[6](C[6]C[5a,6]HN)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN){1|N<3>,1|S<4>,2|H<1>,2|O<1>}	112.8430	0.000	1	112.8430	0.000	1	112.8430	0.000	1	109.6402	4.575	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:3:1:	3:4:2:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|S<2>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|H<1>,5|C<3>}	104.8450	0.000	1	104.8450	0.000	1	104.8450	0.000	1	104.8450	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:3:1:	3:4:3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,6|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|H<1>,5|C<3>}	106.5100	0.000	1	106.5100	0.000	1	106.5350	0.039	3	106.5350	0.039	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:3:1:	3:4:3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,6|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|H<1>,5|C<3>}	106.5475	0.278	2	106.5475	0.077	2	106.5350	0.039	3	106.5350	0.039	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:3:4:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	108.7770	0.843	2	108.1663	1.474	3	108.1663	1.474	3	108.1663	1.474	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:3:4:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,1|H<1>,5|C<3>}	106.9450	0.000	1	108.1663	1.474	3	108.1663	1.474	3	108.1663	1.474	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6]O[6]O)(CCHH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	109.3878	1.361	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.0280	0.000	1	109.5810	0.612	2	109.5810	0.612	2	109.3878	1.361	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.1340	0.000	1	109.5810	0.612	2	109.5810	0.612	2	109.3878	1.361	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H){2|H<1>,6|C<3>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.1445	0.060	2	110.1445	0.004	2	110.1445	0.004	2	109.3878	1.361	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:4:1:	3:4:2:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|O<2>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(O[5a]C[5a]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	106.9680	0.000	1	106.9680	0.000	1	106.9680	0.000	1	108.1313	1.196	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:4:1:	3:4:2:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	108.7130	0.602	2	108.7130	0.363	2	108.7130	0.363	2	108.1313	1.196	3	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:3:4:1:	3:4:3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,7|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<2>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	111.1820	0.000	1	111.1820	0.000	1	111.1820	0.000	1	111.1820	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H)	C[6](C[6,6]C[6]2S[6])(C[6]C[5a,6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H){1|N<3>,1|S<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6]2S[6])(C[6]C[5a,6]CH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	111.3025	0.479	2	111.3025	0.229	2	111.3025	0.229	2	109.1339	2.903	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]CH)(H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(COO)(H){1|C<2>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]CH){2|C<4>,4|H<1>}	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	109.1339	2.903	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	108.4110	0.000	1	108.4110	0.000	1	107.9330	0.457	2	109.1339	2.903	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(COO)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH){1|C<4>,5|H<1>}	107.4550	0.000	1	107.4550	0.000	1	107.9330	0.457	2	109.1339	2.903	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6]O[6]HO)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6]C[5a,6]CH)(C[6]O[6]HO)(H)2{2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	108.0250	0.000	1	108.0250	0.000	1	108.0250	0.000	1	109.1339	2.903	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]N[5]S[6])(C[6]C[5a,6]C[6a]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5]S[6])(C[6]C[5a,6]C[6a]H)(H)2{1|S<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,4|C<3>}	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	109.1339	2.903	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[5a,6]C[6a]H)(H)2	C[5a,6](C[5a,6]N[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[5a,6]C[6a]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]N[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,5|C<3>}	106.8480	0.400	2	106.8480	0.160	2	106.8480	0.160	2	109.1339	2.903	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2S[6])(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2S[6])(H)2{1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,5|C<3>}	110.1445	0.305	4	110.1445	0.093	4	110.1445	0.093	4	109.1339	2.903	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HN)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HN)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<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>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HN){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	108.4380	0.000	1	108.4380	0.000	1	108.4380	0.000	1	109.1339	2.903	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN){1|C<4>,1|S<4>,2|H<1>,2|O<1>}	112.1360	0.000	1	112.1360	0.000	1	112.1360	0.000	1	109.1339	2.903	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HN)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	108.1970	0.000	1	108.1970	0.000	1	107.5815	0.758	2	109.1339	2.903	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HN)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	106.9660	0.000	1	106.9660	0.000	1	107.5815	0.758	2	109.1339	2.903	17	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:2:2:	3:3:4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]C[6a]H)(CN)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]C[6a]H)(CN)2{1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,2|C<2>,3|H<1>,5|C<3>}	107.2605	0.029	2	107.2605	0.001	2	107.2605	0.001	2	107.2605	0.001	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(CC[6a]O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	109.6480	0.000	1	109.6480	0.000	1	110.6875	2.161	2	109.8610	2.214	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(COO)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	111.7270	0.000	1	111.7270	0.000	1	110.6875	2.161	2	109.8610	2.214	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(COO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(COO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	109.3100	1.486	3	109.3100	2.209	3	109.3100	2.209	3	109.8610	2.214	5	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HN){2|C<4>,4|H<1>}	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	111.4490	0.040	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,3|H<1>}	111.3080	0.000	1	111.3080	0.000	1	111.3080	0.000	1	111.4490	0.040	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:4:3:	3:3:4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HN)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH){2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HN){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	110.0400	0.000	1	110.0400	0.000	1	110.0400	0.000	1	110.0400	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:1:	4:4:4:4:	3:3:4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NC[6a]H)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HN)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NC[6a]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:3:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-3:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CC)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CC)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC){2|C<3>,3|H<1>,4|C<4>}	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:2:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:S[6]-2:C-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]CH)(CH3)(H)	C[6](C[6]C[5a,6]CH)(S[6]C[6,6a])(COO)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]CH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]CH)(S[6]C[6,6a])(COO)(H){3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]CH){1|S<2>,2|H<1>,3|C<3>}	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	104.6870	0.000	1	104.8180	0.114	3	105.2810	0.933	4	106.7757	2.972	9	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	104.8835	0.449	2	104.8180	0.114	3	105.2810	0.933	4	106.7757	2.972	9	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H){1|N<2>,1|O<1>,3|N<3>}	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(C[6]C[6]CH){2|C<3>,3|H<1>}	106.6700	0.000	1	106.6700	0.000	1	105.2810	0.933	4	106.7757	2.972	9	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|S<4>,3|C<3>,5|H<1>}	108.7560	0.000	1	108.7560	0.000	1	108.7560	0.000	1	106.7757	2.972	9	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CHHP)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CHHP)(H){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	106.5120	0.000	1	106.5120	0.000	1	106.5120	0.000	1	106.7757	2.972	9	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,2|C<3>,6|H<1>}	107.1780	0.000	1	107.1780	0.000	1	108.1963	0.995	3	106.7757	2.972	9	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CF3)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CF3)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,3|C<3>,5|H<1>}	108.2390	0.000	1	108.2390	0.000	1	108.1963	0.995	3	106.7757	2.972	9	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CHHN)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CHHN)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.1720	0.000	1	109.1720	0.000	1	108.1963	0.995	3	106.7757	2.972	9	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CHHN)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]H)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CHHN)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]H)(COO)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|N<3>,2|H<1>,4|C<3>}	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:3:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCCH)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCCH)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H){1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:2:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]FF)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CH)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,2|F<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]FF)(H)2{1|N<2>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CH){1|C<4>,2|C<3>,2|F<1>,2|H<1>}	109.0980	0.000	1	109.0980	0.000	1	109.0980	0.000	1	109.0980	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHH)(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[5a,6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH){2|C<4>,5|H<1>}	107.7660	0.000	1	107.7660	0.000	1	107.7660	0.000	1	108.8716	4.004	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>,3|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<3>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	108.0620	0.000	1	108.0620	0.000	1	108.0620	0.000	1	108.8716	4.004	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClH)(CH3)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H){1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|Cl<1>,1|C<4>,1|S<4>,3|C<3>,3|H<1>}	105.0190	0.000	1	105.0190	0.000	1	105.0190	0.000	1	108.8716	4.004	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	107.9640	0.000	1	107.9640	0.000	1	108.2310	0.143	2	108.8716	4.004	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]CH){2|C<4>,5|H<1>}	108.4980	0.000	1	108.4980	0.000	1	108.2310	0.143	2	108.8716	4.004	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<3>,1|N<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	108.1860	0.000	1	108.1860	0.000	1	108.1860	0.000	1	108.8716	4.004	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){2|C<3>,2|C<4>,5|H<1>}	108.8480	0.000	1	108.8480	0.000	1	108.6745	0.060	2	108.8716	4.004	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	108.5010	0.000	1	108.5010	0.000	1	108.6745	0.060	2	108.8716	4.004	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CClHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	110.2660	0.000	1	110.2660	0.000	1	110.0327	0.062	3	108.8716	4.004	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCoHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCoHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<4>,6|H<1>}	109.9160	0.204	2	109.9160	0.041	2	110.0327	0.062	3	108.8716	4.004	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCHH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN){1|C<4>,1|S<4>,2|H<1>,2|O<1>}	113.5170	0.000	1	113.5170	0.000	1	113.5170	0.000	1	108.8716	4.004	12	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHO)(H){1|C<4>,1|H<1>,1|N<3>,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>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5]C[5]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[5]H)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5]C[6]H)(C[5a]C[5a]H)	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[6](C[6]C[5a,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5]C[6]H)(C[5a]C[5a]H){2|C<4>,3|C<3>,4|H<1>}	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H){2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:3:1:	3:4:2:	C[5a,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(C[5]C[5]2H)(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)	C[5a,6](C[5a,6]C[5,6]S[5a])(C[6]C[5]C[6]H)(N[5a]C[5a])	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>}	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>}	C[5a,6](C[5a,6]C[5,6]S[5a])(C[6]C[5]C[6]H)(N[5a]C[5a]){3|C<3>,3|C<4>,3|H<1>}	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:3:3:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CCCH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(COO)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|C<4>,1|H<1>,5|C<3>}	106.0090	0.000	1	106.0090	0.000	1	106.0195	0.000	2	106.0195	0.000	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:3:3:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHHN)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(COO)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHHN)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|C<4>,1|H<1>,5|C<3>}	106.0300	0.000	1	106.0300	0.000	1	106.0195	0.000	2	106.0195	0.000	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(CCHH)(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCHH)(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[5a,6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH){3|H<1>,4|C<4>}	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	109.3005	1.118	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H){4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH){2|H<1>,3|C<4>,4|C<3>}	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	109.3005	1.118	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H){1|C<4>,1|H<1>,1|N<3>,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>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:1:	4:4:4:4:	3:3:4:	C[5a,6]-3:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NH3)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HN)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NH3)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HN){1|C<3>,1|N<2>,1|O<1>,4|C<4>}	109.8920	0.180	2	109.8920	0.032	2	109.8920	0.032	2	109.8920	0.032	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:2:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CC)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CC){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CC){1|C<4>,6|H<1>}	109.3460	0.000	1	109.3460	0.000	1	109.3460	0.000	1	110.6625	3.466	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:2:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CO)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CO)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,5|H<1>}	111.9790	0.000	1	111.9790	0.000	1	111.9790	0.000	1	110.6625	3.466	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:2:	4:4:4:1:	3:4:2:	C[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH)	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CO)(N[5a]C[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH){1|C<4>,2|C<3>,2|F<1>}	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H){1|N<2>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CO)(N[5a]C[5a]){2|C<4>,2|F<1>,3|H<1>}	110.2010	0.000	1	110.2010	0.000	1	110.2010	0.000	1	110.2010	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:3:	4:3:1:1:	3:2:4:	C[5a,6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[5a,6]CC)(C[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CH3)(COO){4|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]CC){3|C<3>,3|H<1>}	106.3060	0.000	1	106.3060	0.000	1	106.3060	0.000	1	106.3060	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:3:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC){1|C<4>,3|C<3>,5|H<1>}	110.1800	0.257	2	110.1800	0.066	2	110.1800	0.066	2	110.1800	0.066	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(CH3)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]CC)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(CH3)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]CC)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC){1|N<3>,3|C<3>,5|H<1>}	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:4:	3:4:2:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2{1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){1|O<2>,2|H<1>,4|C<3>}	108.3540	0.000	1	108.3540	0.000	1	109.0560	0.986	2	109.0560	0.986	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:4:	3:4:2:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2{1|N<2>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H){1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){1|O<2>,2|H<1>,4|C<3>}	109.7580	0.000	1	109.7580	0.000	1	109.0560	0.986	2	109.0560	0.986	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:4:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]C[5]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]C[5]H)(CH3)2{1|N<2>,2|O<2>,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>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){1|C<4>,2|H<1>,4|C<3>}	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	108.3885	2.413	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:4:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6]C[6]CC){1|C<4>,1|H<1>,4|C<3>}	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	108.3885	2.413	2	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:4:	4:4:1:1:	3:2:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CN[5a]HH)(CH3)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CN[5a]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.0300	0.000	1	107.8677	0.564	3	108.4040	0.847	6	108.4040	0.847	6	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.2865	0.276	2	107.8677	0.564	3	108.4040	0.847	6	108.4040	0.847	6	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.5310	0.612	2	108.5310	0.375	2	108.4040	0.847	6	108.4040	0.847	6	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,6|H<1>}	109.7590	0.000	1	109.7590	0.000	1	108.4040	0.847	6	108.4040	0.847	6	109.3965	2.573	948	109.3063	3.319	1298
466	466	727	6:SP3_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:4:4:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CC)(N[5a]C[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CHHO)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CC)(N[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	109.3965	2.573	948	109.3063	3.319	1298