486	486	654	3:SP3_SP3_SP3	C[3]	C[3]	B[3]	4:4:1:1:	4:4:4:1:	3:3:4:4:	B[3]-4:C[3]-4:H-1:H-1:	B[3]-4:C[3]-4:P-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3](B[3]C[6a]2C[3])(C[3]B[3]HP)(H)2	C[3](B[3]C[6a]2C[3])(C[3]B[3]HH)(PC[6a]2H)(H)	B[3](C[6a]C[6a]2)2(C[3]C[3]HH)(C[3]C[3]HP)	C[3](B[3]C[6a]2C[3])(C[3]B[3]HP)(H)2{4|C<3>}	C[3](B[3]C[6a]2C[3])(C[3]B[3]HH)(PC[6a]2H)(H){4|C<3>}	B[3](C[6a]C[6a]2)2(C[3]C[3]HH)(C[3]C[3]HP){4|C<3>,4|F<1>}	64.7455	0.000	1	64.7455	0.000	1	64.7455	0.000	1	64.7455	0.000	1	61.6947	1.354	17	61.6947	1.354	17
486	486	654	3:SP3_SP3_SP3	C[3]	C[3]	B[3]	4:4:3:1:	4:4:3:1:	4:4:3:1:	B[3]-4:C[3]-4:C-3:H-1:	B[3]-4:C[3]-4:C-3:H-1:	C[3]-4:C[3]-4:C[5]-3:H-1:	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H)	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H)	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H)	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H){2|N<3>}	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H){2|N<3>}	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H){2|C<3>,2|C<4>}	61.8739	0.326	2	61.6808	0.207	8	61.6808	0.207	8	61.6808	0.207	8	61.6947	1.354	17	61.6947	1.354	17
486	486	654	3:SP3_SP3_SP3	C[3]	C[3]	B[3]	4:4:3:1:	4:4:3:1:	4:4:3:1:	B[3]-4:C[3]-4:C-3:H-1:	B[3]-4:C[3]-4:C-3:H-1:	C[3]-4:C[3]-4:C[5]-3:H-1:	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H)	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H)	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H)	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H){2|N<3>}	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H){2|N<3>}	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H){4|C<3>}	61.6164	0.499	6	61.6808	0.207	8	61.6808	0.207	8	61.6808	0.207	8	61.6947	1.354	17	61.6947	1.354	17
486	486	654	3:SP3_SP3_SP3	C[3]	C[3]	B[3]	4:4:3:1:	4:4:3:1:	4:4:3:3:	B[3]-4:C[3]-4:C[6a]-3:H-1:	B[3]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H)	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H)	B[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)(C[5]N[5]2)	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,6|C<3>}	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,6|C<3>}	B[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)(C[5]N[5]2){2|C<4>,2|H<1>,8|C<3>}	61.7414	0.194	7	61.7414	0.038	7	61.7414	0.038	7	61.7414	0.038	7	61.6947	1.354	17	61.6947	1.354	17
486	486	654	3:SP3_SP3_SP3	C[3]	C[3]	B[3]	4:4:4:1:	4:4:1:1:	3:3:4:4:	B[3]-4:C[3]-4:P-4:H-1:	B[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3](B[3]C[6a]2C[3])(C[3]B[3]HH)(PC[6a]2H)(H)	C[3](B[3]C[6a]2C[3])(C[3]B[3]HP)(H)2	B[3](C[6a]C[6a]2)2(C[3]C[3]HH)(C[3]C[3]HP)	C[3](B[3]C[6a]2C[3])(C[3]B[3]HH)(PC[6a]2H)(H){4|C<3>}	C[3](B[3]C[6a]2C[3])(C[3]B[3]HP)(H)2{4|C<3>}	B[3](C[6a]C[6a]2)2(C[3]C[3]HH)(C[3]C[3]HP){4|C<3>,4|F<1>}	58.4287	0.000	1	58.4287	0.000	1	58.4287	0.000	1	58.4287	0.000	1	61.6947	1.354	17	61.6947	1.354	17
486	486	654	6:SP3_SP3_SP3	C[3,3,6]	C[3,5,6]	B[3,3,6]	4:4:4:3:	4:4:3:3:	4:4:4:3:	B[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	P[3x3,5]-4:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1
486	486	682	3:SP3_SP-NON_SP3	C[3,5]	C[3,5]	Ga[3]	4:3:3:4:	4:3:3:4:	4:4:4:	C[3,5]-4:Ga[3]-3:C[5]-3:C-4:	C[3,5]-4:Ga[3]-3:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:C[5]-4:	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3)	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3)	Ga[3](C[3,5]C[3,5]C[5]C)2(C[5]C[5]2C)	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	Ga[3](C[3,5]C[3,5]C[5]C)2(C[5]C[5]2C){3|C<3>,4|C<4>}	70.3400	5.054	2	70.3400	25.541	2	70.3400	25.541	2	70.3400	25.541	2	70.3400	25.541	2	70.3400	25.541	2
486	486	706	3:SP3_SP3_SP3	C[3,5]	C[3,6]	S[3]	3:4:4:2:	4:3:3:2:	4:4:	C[5,6a]-3:C[3,6]-4:C[5]-4:S[3]-2:	C[3,5]-4:C[6,6a]-3:C[6,6a]-3:S[3]-2:	C[3,5]-4:C[3,6]-4:	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6])	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5])	S[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[6,6a]2C[3,5])	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6]){2|H<1>,7|C<3>}	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5]){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	S[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[6,6a]2C[3,5]){1|H<1>,2|C<4>,6|C<3>}	64.5268	0.000	1	64.5268	0.000	1	64.5268	0.000	1	64.5268	0.000	1	64.5268	0.000	1	66.0840	0.654	28
486	486	706	3:SP3_SP3_SP3	C[3,6,6]	C[3]	S[3]	4:4:4:2:	4:2:2:2:	4:4:	C[3x6]-4:C[3x6]-4:C[3]-4:S[3]-2:	C[3,6,6]-4:S[3]-2:O-2:O-2:	C[3,6,6]-4:C[3]-4:	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]S[3]OO)(S[3]C[3])	C[3](C[3,6,6]C[3x6]2S[3])(S[3]C[3,6,6])(OC)2	S[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO)	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]S[3]OO)(S[3]C[3]){2|C<4>,8|H<1>}	C[3](C[3,6,6]C[3x6]2S[3])(S[3]C[3,6,6])(OC)2{2|H<1>,4|C<4>}	S[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO){2|H<1>,4|C<4>}	66.0967	0.261	3	66.0967	0.068	3	66.0967	0.068	3	66.0967	0.068	3	66.0967	0.068	3	66.0840	0.654	28
486	486	706	3:SP3_SP3_SP3	C[3,6]	C[3,5]	S[3]	4:3:3:2:	3:4:4:2:	4:4:	C[3,5]-4:C[6,6a]-3:C[6,6a]-3:S[3]-2:	C[5,6a]-3:C[3,6]-4:C[5]-4:S[3]-2:	C[3,5]-4:C[3,6]-4:	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5])	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6])	S[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[6,6a]2C[3,5])	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5]){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6]){2|H<1>,7|C<3>}	S[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[6,6a]2C[3,5]){1|H<1>,2|C<4>,6|C<3>}	65.2378	0.000	1	65.2378	0.000	1	65.2378	0.000	1	65.2378	0.000	1	65.2378	0.000	1	66.0840	0.654	28
486	486	706	3:SP3_SP3_SP3	C[3]	C[3,6,6]	S[3]	4:2:2:2:	4:4:4:2:	4:4:	C[3,6,6]-4:S[3]-2:O-2:O-2:	C[3x6]-4:C[3x6]-4:C[3]-4:S[3]-2:	C[3,6,6]-4:C[3]-4:	C[3](C[3,6,6]C[3x6]2S[3])(S[3]C[3,6,6])(OC)2	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]S[3]OO)(S[3]C[3])	S[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO)	C[3](C[3,6,6]C[3x6]2S[3])(S[3]C[3,6,6])(OC)2{2|H<1>,4|C<4>}	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]S[3]OO)(S[3]C[3]){2|C<4>,8|H<1>}	S[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO){2|H<1>,4|C<4>}	67.3273	0.279	3	67.3273	0.078	3	67.3273	0.078	3	67.3273	0.078	3	67.3273	0.078	3	66.0840	0.654	28
486	486	706	3:SP3_SP3_SP3	C[3]	C[3]	S[3]	3:4:2:3:	4:2:4:1:	4:4:	C[6a]-3:C[3]-4:S[3]-2:C-3:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO)	C[3](C[3]C[6a]S[3]C)(S[3]C[3])(CCHO)(H)	S[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]S[3]C)(S[3]C[3])(CCHO)(H){2|C<3>}	S[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	65.2741	0.000	1	65.2741	0.000	1	65.2741	0.000	1	65.2741	0.000	1	66.0158	0.499	20	66.0840	0.654	28
486	486	706	3:SP3_SP3_SP3	C[3]	C[3]	S[3]	4:2:1:1:	4:2:4:1:	4:4:	C[3]-4:S[3]-2:H-1:H-1:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]S[3]CH)(S[3]C[3])(H)2	C[3](C[3]S[3]HH)(S[3]C[3])(CHHS)(H)	S[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]S[3]CH)(S[3]C[3])(H)2	C[3](C[3]S[3]HH)(S[3]C[3])(CHHS)(H)	S[3](C[3]C[3]CH)(C[3]C[3]HH)	65.9050	0.688	5	65.9050	0.474	5	65.9050	0.474	5	65.9050	0.474	5	66.0158	0.499	20	66.0840	0.654	28
486	486	706	3:SP3_SP3_SP3	C[3]	C[3]	S[3]	4:2:1:1:	4:4:2:1:	4:4:	C[3]-4:S[3]-2:H-1:H-1:	C[5]-4:C[3]-4:S[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]S[3]H)(S[3]C[3])(H)2	C[3](C[5]C[5,6]C[5]O)(C[3]S[3]HH)(S[3]C[3])(H)	S[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	C[3](C[3]C[5]S[3]H)(S[3]C[3])(H)2{1|O<2>,2|C<4>}	C[3](C[5]C[5,6]C[5]O)(C[3]S[3]HH)(S[3]C[3])(H){2|H<1>,4|C<4>}	S[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|O<2>,2|C<4>}	66.1481	0.000	1	66.1481	0.000	1	66.1481	0.000	1	66.1481	0.000	1	66.0158	0.499	20	66.0840	0.654	28
486	486	706	3:SP3_SP3_SP3	C[3]	C[3]	S[3]	4:2:4:1:	3:4:2:3:	4:4:	C[3]-4:S[3]-2:C-4:H-1:	C[6a]-3:C[3]-4:S[3]-2:C-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]S[3]C)(S[3]C[3])(CCHO)(H)	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO)	S[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[3]C[6a]S[3]C)(S[3]C[3])(CCHO)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO){2|C<3>,2|H<1>}	S[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	65.5904	0.000	1	65.5904	0.000	1	65.5904	0.000	1	65.5904	0.000	1	66.0158	0.499	20	66.0840	0.654	28
486	486	706	3:SP3_SP3_SP3	C[3]	C[3]	S[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:S[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]S[3]HH)(S[3]C[3])(CHHS)(H)	C[3](C[3]S[3]CH)(S[3]C[3])(H)2	S[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]S[3]HH)(S[3]C[3])(CHHS)(H)	C[3](C[3]S[3]CH)(S[3]C[3])(H)2	S[3](C[3]C[3]CH)(C[3]C[3]HH)	66.2532	0.365	5	66.2532	0.133	5	66.2532	0.133	5	66.2532	0.133	5	66.0158	0.499	20	66.0840	0.654	28
486	486	706	3:SP3_SP3_SP3	C[3]	C[3]	S[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]S[3]CH)(S[3]C[3])(CH3)(H)	C[3](C[3]S[3]CH)(S[3]C[3])(CHHN)(H)	S[3](C[3]C[3]CH)2	C[3](C[3]S[3]CH)(S[3]C[3])(CH3)(H)	C[3](C[3]S[3]CH)(S[3]C[3])(CHHN)(H)	S[3](C[3]C[3]CH)2	65.5437	0.000	2	65.5437	0.000	2	66.3824	0.938	4	66.3824	0.938	4	66.0158	0.499	20	66.0840	0.654	28
486	486	706	3:SP3_SP3_SP3	C[3]	C[3]	S[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]S[3]CH)(S[3]C[3])(CHHN)(H)	C[3](C[3]S[3]CH)(S[3]C[3])(CH3)(H)	S[3](C[3]C[3]CH)2	C[3](C[3]S[3]CH)(S[3]C[3])(CHHN)(H)	C[3](C[3]S[3]CH)(S[3]C[3])(CH3)(H)	S[3](C[3]C[3]CH)2	67.2211	0.000	2	67.2211	0.000	2	66.3824	0.938	4	66.3824	0.938	4	66.0158	0.499	20	66.0840	0.654	28
486	486	706	3:SP3_SP3_SP3	C[3]	C[3]	S[3]	4:3:2:1:	4:3:2:3:	4:4:	C[3]-4:C[6a]-3:S[3]-2:H-1:	C[3]-4:C[6a]-3:S[3]-2:C-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H)	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O)	S[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O){2|H<1>,4|C<3>}	S[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	64.4658	0.000	1	64.4658	0.000	1	64.4658	0.000	1	64.4658	0.000	1	66.0158	0.499	20	66.0840	0.654	28
486	486	706	3:SP3_SP3_SP3	C[3]	C[3]	S[3]	4:3:2:3:	4:3:2:1:	4:4:	C[3]-4:C[6a]-3:S[3]-2:C-3:	C[3]-4:C[6a]-3:S[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O)	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H)	S[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O){2|H<1>,4|C<3>}	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H){2|H<1>,4|C<3>}	S[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	66.4754	0.000	1	66.4754	0.000	1	66.4754	0.000	1	66.4754	0.000	1	66.0158	0.499	20	66.0840	0.654	28
486	486	706	3:SP3_SP3_SP3	C[3]	C[3]	S[3]	4:4:2:1:	4:2:1:1:	4:4:	C[5]-4:C[3]-4:S[3]-2:H-1:	C[3]-4:S[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5,6]C[5]O)(C[3]S[3]HH)(S[3]C[3])(H)	C[3](C[3]C[5]S[3]H)(S[3]C[3])(H)2	S[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	C[3](C[5]C[5,6]C[5]O)(C[3]S[3]HH)(S[3]C[3])(H){2|H<1>,4|C<4>}	C[3](C[3]C[5]S[3]H)(S[3]C[3])(H)2{1|O<2>,2|C<4>}	S[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|O<2>,2|C<4>}	66.0408	0.000	1	66.0408	0.000	1	66.0408	0.000	1	66.0408	0.000	1	66.0158	0.499	20	66.0840	0.654	28
486	486	727	0:SP3_SP2_SP3	C[3,5,5,6]	C[3,5]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[3,5,6]-4:C[3,5]-4:C[5,6a]-3:C[5,6]-4:	C[3,5,5,6]-4:C[3,5,6]-4:C[5]-3:H-1:	C[3,5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)	C[3,5](C[3,5,5,6]C[3,5,6]C[5,6a]C[5,6])(C[3,5,6]C[3,5,5,6]C[6]N[5])(C[5]N[5]O)(H)	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	C[3,5](C[3,5,5,6]C[3,5,6]C[5,6a]C[5,6])(C[3,5,6]C[3,5,5,6]C[6]N[5])(C[5]N[5]O)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	120.1430	0.000	1	120.1430	0.000	1	120.1430	0.000	1	120.1430	0.000	1	120.1430	0.000	1	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,5]	C[3,5]	C[5,6a]	4:3:4:4:	4:4:3:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-4:	C[3,5,5]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[3,5,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH)	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,5|C<3>}	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O){4|H<1>,5|C<3>}	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	118.9165	1.620	2	118.9165	2.624	2	118.9165	2.624	2	118.9165	2.624	2	118.9165	2.624	2	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3,5]	C[5,6,6a]	3:3:4:4:	4:4:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[5,6a]-3:C[5]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[3,5](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[3,5](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){10|C<3>,3|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	127.8570	0.000	1	127.8570	0.000	1	127.8570	0.000	1	126.6232	3.013	4	126.6232	3.013	4	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3,5]	C[5,6,6a]	3:3:4:4:	4:4:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[5,6a]-3:C[5]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[3,5](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[3,5](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){10|C<3>,3|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,9|C<3>}	128.3590	0.000	1	128.3590	0.000	1	128.3590	0.000	1	126.6232	3.013	4	126.6232	3.013	4	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3,5]	C[5,6,6a]	3:3:4:4:	4:4:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[5,6a]-3:C[5]-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[3,5](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[3,5](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){10|C<3>,3|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	125.1385	0.310	2	125.1385	0.096	2	125.1385	0.096	2	126.6232	3.013	4	126.6232	3.013	4	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:3:4:4:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:H-1:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CH)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(CC[6a]O)(H)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CH){8|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(CC[6a]O)(H){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|H<1>,9|C<3>}	126.3455	1.209	8	126.3455	1.461	8	126.3455	1.461	8	126.3455	1.461	8	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:3:4:4:	4:4:3:2:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-2:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CN)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CN){10|C<3>,2|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<2>,9|C<3>}	125.9930	0.503	3	125.9930	0.253	3	125.9930	0.253	3	125.8203	0.288	4	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:3:4:4:	4:4:3:2:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-2:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CN)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CN){10|C<3>,2|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<2>,9|C<3>}	125.3020	0.000	1	125.3020	0.000	1	125.3020	0.000	1	125.8203	0.288	4	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:3:4:4:	4:4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)(COO)2	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC){2|C<4>,6|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)(COO)2{2|C<4>,6|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	127.2980	0.416	2	127.2980	0.173	2	127.2980	0.173	2	126.2602	4.215	14	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:3:4:4:	4:4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)(COO)2	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC){2|C<4>,6|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)(COO)2{2|C<4>,6|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	125.8195	0.250	2	125.8195	0.062	2	126.0872	4.737	12	126.2602	4.215	14	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:3:4:4:	4:4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(COO)2	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(COO)2{8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	126.4833	2.499	7	126.4833	6.247	7	126.0872	4.737	12	126.2602	4.215	14	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:3:4:4:	4:4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(COO)2	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(COO)2{8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	125.3417	2.413	3	125.3417	5.824	3	126.0872	4.737	12	126.2602	4.215	14	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:3:4:4:	4:4:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH){10|C<3>,2|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	126.7978	0.549	4	126.7978	0.301	4	126.8490	0.195	6	126.6094	0.291	28	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:3:4:4:	4:4:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH){10|C<3>,2|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	126.9515	0.204	2	126.9515	0.042	2	126.8490	0.195	6	126.6094	0.291	28	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:3:4:4:	4:4:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH){10|C<3>,2|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,9|C<3>}	126.2913	0.497	4	126.2913	0.247	4	126.2913	0.247	4	126.6094	0.291	28	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:3:4:4:	4:4:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH){10|C<3>,2|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,9|C<3>}	126.3020	0.000	1	126.3020	0.000	1	126.6308	0.319	17	126.6094	0.291	28	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:3:4:4:	4:4:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH){10|C<3>,2|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,9|C<3>}	126.6514	0.577	16	126.6514	0.333	16	126.6308	0.319	17	126.6094	0.291	28	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:3:4:4:	4:4:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH){10|C<3>,2|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	126.0810	0.000	1	126.0810	0.000	1	126.0810	0.000	1	126.6094	0.291	28	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:3:4:4:	4:4:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-4:C-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(CCHH)(COO)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(CCHH)(COO){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	125.5907	1.088	3	125.5907	1.184	3	125.5907	1.184	3	125.8918	1.152	4	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:3:4:4:	4:4:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-4:C-3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(CCHH)(COO)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(CCHH)(COO){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,9|C<3>}	126.7950	0.000	1	126.7950	0.000	1	126.7950	0.000	1	125.8918	1.152	4	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:4:3:4:	4:4:3:3:	4:3:3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2{8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	123.5150	0.116	2	123.5150	0.013	2	123.5150	0.013	2	124.9630	5.761	6	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:4:3:4:	4:4:3:3:	4:3:3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(COO)2	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(COO)2{8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	128.0180	0.595	2	128.0180	0.354	2	128.0180	0.354	2	124.9630	5.761	6	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	3:4:3:4:	4:4:3:3:	4:3:3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(COO)2	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(COO)2{8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	123.3560	0.641	2	123.3560	0.410	2	123.3560	0.410	2	124.9630	5.761	6	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	4:3:3:4:	4:4:3:3:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2{8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	124.5450	0.066	2	124.5450	0.004	2	124.5450	0.004	2	125.9599	3.419	36	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	4:3:3:4:	4:4:3:3:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(COO)2	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(COO)2{8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	126.0243	1.749	26	126.0243	3.059	26	126.1983	3.290	32	125.9599	3.419	36	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	4:3:3:4:	4:4:3:3:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2{8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	127.7915	0.378	2	127.7915	0.143	2	126.1983	3.290	32	125.9599	3.419	36	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	4:3:3:4:	4:4:3:3:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2{8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	124.3845	0.752	2	124.3845	0.565	2	126.1983	3.290	32	125.9599	3.419	36	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	4:3:3:4:	4:4:3:3:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2{8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	128.6800	0.232	2	128.6800	0.054	2	126.1983	3.290	32	125.9599	3.419	36	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	4:3:3:4:	4:4:3:3:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2{8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	123.5605	0.562	2	123.5605	0.316	2	123.5605	0.316	2	125.9599	3.419	36	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	4:3:3:4:	4:4:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){3|C<4>,8|C<3>}	132.3485	0.422	2	132.3485	0.178	2	132.3485	0.178	2	126.9279	31.562	8	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	4:3:3:4:	4:4:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){3|C<4>,8|C<3>}	131.7910	0.000	1	131.7910	0.000	1	128.6080	34.530	3	126.9279	31.562	8	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	4:3:3:4:	4:4:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){2|C<4>,8|C<3>}	121.8270	0.000	1	121.8270	0.000	1	128.6080	34.530	3	126.9279	31.562	8	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	4:3:3:4:	4:4:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){3|C<4>,8|C<3>}	132.2060	0.000	1	132.2060	0.000	1	128.6080	34.530	3	126.9279	31.562	8	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	4:3:3:4:	4:4:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){2|C<4>,8|C<3>}	121.1290	0.000	1	121.1290	0.000	1	121.1290	0.000	1	126.9279	31.562	8	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	4:3:3:4:	4:4:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){2|C<4>,8|C<3>}	121.8865	0.069	2	121.8865	0.005	2	121.8865	0.005	2	126.9279	31.562	8	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	4:3:4:4:	4:4:3:4:	3:3:4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3]){3|C<4>,8|C<3>}	123.8140	0.000	1	123.8140	0.000	1	123.8140	0.000	1	123.3660	0.192	4	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6a]	4:3:4:4:	4:4:3:4:	3:3:4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[3,5,6,6]-4:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3]){3|C<4>,8|C<3>}	123.2167	0.392	3	123.2167	0.154	3	123.2167	0.154	3	123.3660	0.192	4	126.1030	4.501	112	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[5,6a]	3:4:3:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[3,6]-4:N[3,5]-3:C[6]-4:	C[3,5,6]-4:N[3,5]-3:C[6]-3:H-1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH)	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H)	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH){2|O<1>,3|H<1>,4|C<3>}	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,5|H<1>}	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	121.0762	36.771	5	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5,6]-3:	C[3,5,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6])	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H)	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,1|S<4>,6|C<3>}	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	129.1570	0.000	1	129.1570	0.000	1	129.1570	0.000	1	129.1570	0.000	1	121.0762	36.771	5	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[5,6a]	4:3:4:4:	4:4:3:3:	4:3:3:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:C[6]-4:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH)	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	116.7720	0.191	2	116.7720	0.036	2	116.7720	0.036	2	116.7720	0.036	2	121.0762	36.771	5	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[5,6a]	4:4:3:4:	4:4:3:4:	4:3:3:	C[3x5,6,6]-4:C[3,6]-4:C[5,6a]-3:C[3]-4:	C[3,5,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH)	C[3,6](C[3,5,6]C[3x5,6,6]C[5,6a]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H)	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH){3|C<4>,4|H<1>,5|C<3>}	C[3,6](C[3,5,6]C[3x5,6,6]C[5,6a]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	126.0600	0.000	1	126.0600	0.000	1	126.0600	0.000	1	126.0600	0.000	1	121.0762	36.771	5	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[5,6,6a]	3:4:4:3:	4:4:4:4:	4:3:3:	C[5,6,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,5,6]-4:C[3,6]-4:C-4:C-4:	C[3,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O)	C[3](C[3,5,6]C[5,6,6a]C[3,6]C[5])(C[3,6]C[3,5,6]C[6]H)(CH3)2	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>}	C[3](C[3,5,6]C[5,6,6a]C[3,6]C[5])(C[3,6]C[3,5,6]C[6]H)(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	120.7230	0.000	1	120.7230	0.000	1	120.7230	0.000	1	121.4775	1.139	2	121.4775	1.139	2	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[5,6,6a]	3:4:4:3:	4:4:4:4:	4:3:3:	C[5,6,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,5,6]-4:C[3,6]-4:C-4:C-4:	C[3,5,6]-4:C[6,6a]-3:C[5,6a]-3:	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[5]N[5]O)	C[3](C[3,5,6]C[5,6,6a]C[3,6]C[5])(C[3,6]C[3,5,6]C[5,6]H)(CH3)2	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5])	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[5]N[5]O){1|O<2>,2|C<3>,3|C<4>}	C[3](C[3,5,6]C[5,6,6a]C[3,6]C[5])(C[3,6]C[3,5,6]C[5,6]H)(CH3)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5]){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	122.2320	0.000	1	122.2320	0.000	1	122.2320	0.000	1	121.4775	1.139	2	121.4775	1.139	2	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5,6]-3:	C[3,5,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6])	C[3](C[3,5,6]C[5,6a]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,1|S<4>,6|C<3>}	C[3](C[3,5,6]C[5,6a]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	125.1870	0.000	1	125.1870	0.000	1	125.1870	0.000	1	125.1870	0.000	1	126.0250	1.404	2	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[5,6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3x5,6,6]-4:C[3,6]-4:C[5,6a]-3:C[3]-4:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH)	C[3](C[3,5,6]C[3x5,6,6]C[5,6a]C[3,6])(C[3,6]C[3,5,6]C[6a]C[6])(H)2	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H)	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH){3|C<4>,4|H<1>,5|C<3>}	C[3](C[3,5,6]C[3x5,6,6]C[5,6a]C[3,6])(C[3,6]C[3,5,6]C[6a]C[6])(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	126.8630	0.000	1	126.8630	0.000	1	126.8630	0.000	1	126.8630	0.000	1	126.0250	1.404	2	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5,6,6]	C[5,6a]	4:4:3:4:	3:3:4:4:	4:3:3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[5,6a](C[3,5]C[3,5,6,6]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){10|C<3>,3|H<1>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[3,5]C[3,5,6,6]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){5|C<3>,6|H<1>}	123.2470	2.761	2	123.2470	7.621	2	123.2470	7.621	2	123.2470	7.621	2	123.2470	7.621	2	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3,5]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	129.1790	0.000	1	129.1790	0.000	1	129.1790	0.000	1	129.1790	0.000	1	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	3:4:4:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-3:S[5]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,3|C<3>,4|H<1>}	122.9660	0.000	1	122.9660	0.000	1	122.9660	0.000	1	122.9660	0.000	1	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	3:4:4:3:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-3:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(C[5]C[5,6a]O)2	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O){1|H<1>,2|O<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	123.3180	0.000	1	123.3180	0.000	1	123.3180	0.000	1	123.3180	0.000	1	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	3:4:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[3]-4:C[3,5]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O){1|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	122.5530	0.000	1	122.5530	0.000	1	122.5530	0.000	1	122.5530	0.000	1	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	3:4:4:3:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3,5]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C[5]-4:C-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	127.5050	0.000	1	127.5050	0.000	1	127.5050	0.000	1	127.5050	0.000	1	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:1:	4:3:4:3:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	115.7980	0.000	1	115.7980	0.000	1	115.7587	0.111	3	115.7587	0.111	3	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:1:	4:3:4:3:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	115.7390	0.470	2	115.7390	0.220	2	115.7587	0.111	3	115.7587	0.111	3	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:1:	4:3:4:4:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	116.3180	0.000	1	116.3180	0.000	1	116.3180	0.000	1	116.3180	0.000	1	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:3:	4:3:4:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N){1|C<4>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	126.9180	0.000	1	126.9180	0.000	1	127.7663	1.387	3	127.7663	1.387	3	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:3:	4:3:4:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|S<4>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	128.1905	1.302	2	128.1905	1.695	2	127.7663	1.387	3	127.7663	1.387	3	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:3:	4:3:4:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[3]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[3]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	124.4080	0.000	1	125.4590	2.209	2	125.4590	2.209	2	125.4590	2.209	2	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:3:	4:3:4:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[3]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[3]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	126.5100	0.000	1	125.4590	2.209	2	125.4590	2.209	2	125.4590	2.209	2	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N){1|C<4>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H){1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	129.5110	0.000	1	129.5110	0.000	1	130.8593	1.801	3	130.8593	1.801	3	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|S<4>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	131.5335	0.936	2	131.5335	0.875	2	130.8593	1.801	3	130.8593	1.801	3	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-4:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH){4|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,8|H<1>}	118.6520	0.000	1	118.6520	0.000	1	118.6520	0.000	1	118.6520	0.000	1	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:4:	4:4:4:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-4:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH){4|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,8|H<1>}	120.8030	0.000	1	120.8030	0.000	1	120.8030	0.000	1	120.8030	0.000	1	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	115.6640	0.000	1	116.4413	0.453	3	116.4413	0.453	3	117.5480	5.201	4	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	116.8300	0.000	2	116.4413	0.453	3	116.4413	0.453	3	117.5480	5.201	4	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5]C[5]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.8680	0.000	1	120.8680	0.000	1	120.8680	0.000	1	117.5480	5.201	4	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,3x5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,3x5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	121.6580	0.000	1	121.6580	0.000	1	121.6580	0.000	1	121.0875	1.413	10	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,6|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,6|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.0560	0.000	1	120.0560	0.000	1	120.0560	0.000	1	121.0875	1.413	10	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5,5]-4:C[5]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5]C[5]H)(COO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|H<1>,3|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5]C[5]H)(COO){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	119.2290	0.000	1	119.2290	0.000	1	119.2290	0.000	1	121.0875	1.413	10	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.1330	0.000	1	120.8800	0.606	3	121.3962	1.417	6	121.0875	1.413	10	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	121.6860	0.000	1	120.8800	0.606	3	121.3962	1.417	6	121.0875	1.413	10	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,5|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|H<1>,5|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.8210	0.000	1	120.8800	0.606	3	121.3962	1.417	6	121.0875	1.413	10	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CNO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CNO){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.9580	0.000	1	120.9580	0.000	1	121.3962	1.417	6	121.0875	1.413	10	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO){1|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.1830	0.000	1	122.3895	2.911	2	121.3962	1.417	6	121.0875	1.413	10	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	123.5960	0.000	1	122.3895	2.911	2	121.3962	1.417	6	121.0875	1.413	10	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:P-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]P)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(PC[6a]2)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]P)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(PC[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|P<3>,3|C<3>,3|H<1>}	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	121.0875	1.413	10	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,3x5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,3x5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.9580	0.000	1	120.9580	0.000	1	120.9580	0.000	1	120.8383	2.600	12	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,6|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,6|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	121.1560	0.000	1	121.1560	0.000	1	121.1560	0.000	1	120.8383	2.600	12	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5,5]-4:C[5,6]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6]C[5,6]C[6])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6]C[5,6]C[6])(H){1|C<2>,2|H<1>,3|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	123.2580	0.000	1	123.2580	0.000	1	123.2580	0.000	1	120.8383	2.600	12	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]2)(COO)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]H)(C[5]C[5]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]2)(COO){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,3|H<1>,6|C<3>}	119.3580	0.000	1	119.3580	0.000	1	119.3580	0.000	1	120.8383	2.600	12	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C[6a])(C[3,5,5]C[3,5]P[5,5]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Se<1>,4|H<1>,7|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C[6a])(C[3,5,5]C[3,5]P[5,5]C[6a])(C[5]C[5]H)(H){1|Se<1>,7|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H){1|Se<1>,3|H<1>,6|C<3>}	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	120.8383	2.600	12	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.1530	0.000	1	121.4053	1.177	3	121.2680	2.119	6	120.8383	2.600	12	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	122.0010	0.000	1	121.4053	1.177	3	121.2680	2.119	6	120.8383	2.600	12	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|H<1>,5|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	122.0620	0.000	1	121.4053	1.177	3	121.2680	2.119	6	120.8383	2.600	12	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CNO)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CNO){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	119.3920	0.000	1	119.3920	0.000	1	121.2680	2.119	6	120.8383	2.600	12	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO){1|Cl<1>,1|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl){4|C<3>,4|H<1>}	123.3400	0.000	1	123.3400	0.000	1	121.2680	2.119	6	120.8383	2.600	12	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.6600	0.000	1	120.6600	0.000	1	121.2680	2.119	6	120.8383	2.600	12	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:P-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(PC[6a]2)	C[3,5](C[3,5]C[3,5,5]C[5,6a]P)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(PC[6a]2){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]P)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|P<3>,3|C<3>,4|H<1>}	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	120.8383	2.600	12	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:4:3:4:	4:4:3:4:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-4:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	119.7420	0.597	2	119.7420	0.356	2	119.7420	0.356	2	119.7420	0.356	2	121.8293	17.054	47	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5,6a]	3:4:4:2:	4:3:3:2:	3:4:3:	C[5,6a]-3:C[3,6]-4:C[5]-4:S[3]-2:	C[3,5]-4:C[6,6a]-3:C[6,6a]-3:S[3]-2:	C[6a,6a]-3:C[3,5]-4:C[5,6a]-3:	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6])	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,6]C[5]S[3])(C[5,6a]C[6a]C[5])	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6]){2|H<1>,7|C<3>}	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5]){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,6]C[5]S[3])(C[5,6a]C[6a]C[5]){1|C<4>,5|C<3>,5|H<1>}	121.1690	0.000	1	121.1690	0.000	1	121.1690	0.000	1	121.1690	0.000	1	119.1232	5.977	9	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5,6a]	3:4:4:3:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6]-3:C[6]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O)	C[3,6](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6]C[6]H)2	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6]C[6]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	121.4070	0.000	1	121.4070	0.000	1	121.4070	0.000	1	121.4070	0.000	1	119.1232	5.977	9	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5,6a]	3:4:4:3:	4:4:4:1:	4:3:2:	C[5,6a]-3:C[3,6]-4:C[3,6]-4:C[5]-3:	C[3,5]-4:C[3,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6a]-3:N[6a]-2:	C[3,5](C[5,6a]C[5,6a]N[6a])(C[3,6]C[3,6]C[6]H)2(C[5]C[5]H)	C[3,6](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]H)(C[6]C[6]HH)(H)	C[5,6a](C[3,5]C[3,6]2C[5])(C[5,6a]N[6a]C[5])(N[6a]C[6a])	C[3,5](C[5,6a]C[5,6a]N[6a])(C[3,6]C[3,6]C[6]H)2(C[5]C[5]H){1|N<2>,4|C<3>,4|H<1>}	C[3,6](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]H)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,4|H<1>}	C[5,6a](C[3,5]C[3,6]2C[5])(C[5,6a]N[6a]C[5])(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	120.3670	0.674	4	120.3670	0.454	4	120.3670	0.454	4	120.3670	0.454	4	119.1232	5.977	9	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5,6a]	4:3:4:1:	4:3:4:3:	4:3:3:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,5]-4:C[6,6a]-3:C[3,5]-4:C[6]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]C[5]H)(H)	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N)	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]C[5]H)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	116.4550	0.939	2	116.4550	0.882	2	116.4550	0.882	2	116.4550	0.882	2	119.1232	5.977	9	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5,6a]	4:4:3:4:	4:4:4:1:	4:3:3:	C[3,5,6]-4:C[3,6]-4:C[5,6a]-3:C-4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH)	C[3,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5,6a]C)(C[6]C[5,6]HH)(H)	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH){2|C<4>,3|C<3>,5|H<1>}	C[3,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5,6a]C)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	115.1550	0.000	1	115.1550	0.000	1	115.1550	0.000	1	115.1550	0.000	1	119.1232	5.977	9	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,5a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[3,5]-4:C[3]-4:C-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	N[5,5a]-3:C[3,5]-4:C[5a]-3:	C[3,5](C[5,5a]N[5,5a]C[5a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(COO)	C[3](C[3,5]C[5,5a]C[3,5]C)(C[3,5]C[3,5]C[5]H)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[3,5]C[3,5]C[3]C)(C[5a]C[5a,6a]C)	C[3,5](C[5,5a]N[5,5a]C[5a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(COO){2|H<1>,3|C<3>}	C[3](C[3,5]C[5,5a]C[3,5]C)(C[3,5]C[3,5]C[5]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[3,5]C[3,5]C[3]C)(C[5a]C[5a,6a]C){2|C<3>,5|H<1>}	114.5290	0.000	1	114.5290	0.000	1	114.5290	0.000	1	114.5290	0.000	1	114.5290	0.000	1	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:3:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CH)(COO)	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(H)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CH)(COO){1|H<1>,2|C<3>,2|O<1>}	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(H){2|C<3>,2|O<1>}	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	117.4345	2.362	2	117.4345	5.581	2	117.4345	5.581	2	117.2497	2.893	3	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:3:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[3,5]-4:N[3,5]-3:C-3:I-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CI)(COO)	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(I)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CI)(COO){1|H<1>,2|C<3>,2|O<1>}	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(I){2|C<3>,2|O<1>}	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>,2|O<1>}	116.8800	0.000	1	116.8800	0.000	1	116.8800	0.000	1	117.2497	2.893	3	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]CH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CH)(C[3]C[3]HH){2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]CH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	121.0075	2.943	4	121.0075	8.662	4	121.9680	1.602	23	121.9680	1.602	23	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2{2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|Br<1>,3|C<3>,5|H<1>}	122.3450	0.000	1	122.1837	0.275	15	121.9680	1.602	23	121.9680	1.602	23	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2{2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){4|C<3>,5|H<1>}	122.1721	0.543	14	122.1837	0.275	15	121.9680	1.602	23	121.9680	1.602	23	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2{2|C<3>,2|H<1>,2|N<2>}	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,5|H<1>}	122.1197	0.556	4	122.1197	0.309	4	121.9680	1.602	23	121.9680	1.602	23	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:3:4:4:	4:4:2:2:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[3,5]-4:C[3]-4:C-2:C-2:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CC)(C[3]C[3]OO)	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]OO)(CN)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CC)(C[3]C[3]OO){2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]OO)(CN)2{4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){2|C<2>,2|H<1>,2|O<2>,3|C<3>}	119.0237	0.660	4	119.0237	0.436	4	119.0237	0.436	4	121.5115	7.697	8	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:3:4:4:	4:4:2:2:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[3,5]-4:C[3]-4:O-2:O-2:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CC)(C[3]C[3]OO)	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]CC)(OC)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CC)(C[3]C[3]OO){2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]CC)(OC)2{4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){2|C<2>,2|H<1>,2|O<2>,3|C<3>}	123.9993	1.010	4	123.9993	1.020	4	123.9993	1.020	4	121.5115	7.697	8	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:3:4:4:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[3,5]-4:C[3]-4:C-4:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]HH)(CC[6a]CO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CH)(C[3]C[3]HH){2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]HH)(CC[6a]CO)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	124.3810	10.608	2	124.3810	112.530	2	123.2925	54.411	4	123.2925	54.411	4	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:3:4:4:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[3,5]-4:C[3]-4:C-4:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]HH)(CC[6a]HO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CH)(C[3]C[3]HH){2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]HH)(CC[6a]HO)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	122.2040	6.780	2	122.2040	45.965	2	123.2925	54.411	4	123.2925	54.411	4	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[3]-4:N[3,5]-3:H-1:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H)	C[3](C[3,5]C[5,6a]N[3,5]H)(N[3,5]C[3,5]S[5])(C[6a]C[6a]2)(H)	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H){1|H<1>,2|O<1>,4|C<3>}	C[3](C[3,5]C[5,6a]N[3,5]H)(N[3,5]C[3,5]S[5])(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|O<1>,3|H<1>}	118.7560	0.000	1	118.7560	0.000	1	118.7560	0.000	1	118.7560	0.000	1	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:3:2:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:H-1:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(H)2	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,5|H<1>}	126.0340	0.000	1	126.0340	0.000	1	126.0340	0.000	1	126.0340	0.000	1	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:3:2:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	129.6670	0.000	1	129.2865	0.290	2	128.8536	2.140	8	128.8536	2.140	8	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:3:2:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,4|H<1>}	128.9060	0.000	1	129.2865	0.290	2	128.8536	2.140	8	128.8536	2.140	8	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:3:2:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CNO)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CNO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	128.7900	1.239	2	129.2734	1.161	5	128.8536	2.140	8	128.8536	2.140	8	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:3:2:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CNO)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CNO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	129.5957	1.079	3	129.2734	1.161	5	128.8536	2.140	8	128.8536	2.140	8	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:3:2:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(COO)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	125.8890	0.000	1	125.8890	0.000	1	128.8536	2.140	8	128.8536	2.140	8	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:3:2:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	128.9930	0.000	1	128.9930	0.000	1	128.9930	0.000	1	128.9930	0.000	1	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:3:3:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[3,5]-4:N[3]-3:H-1:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S)	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]S)(H)2	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]S)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,1|S<3>,3|H<1>}	126.2220	0.000	1	126.2220	0.000	1	126.2220	0.000	1	126.2220	0.000	1	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:3:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[3,5]-4:N[3]-3:C-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C)	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]C)(COO)(H)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]C)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	125.3480	4.931	2	125.3480	24.318	2	125.3480	24.318	2	125.3480	24.318	2	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[5]-3:C[3]-4:	C[3,5]-4:C[3]-4:Br-1:Br-1:	C[5,6a,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(Br)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(Br)2{1|O<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|O<1>,2|H<1>,4|C<3>}	123.0315	0.801	2	123.0315	0.642	2	123.0315	0.642	2	123.0315	0.642	2	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:3:4:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[5]-3:C[3]-4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|O<1>,2|H<1>,4|C<3>}	127.2270	0.239	2	127.2270	0.057	2	127.2270	0.057	2	127.2270	0.057	2	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:1:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[3,5]-4:C-3:C-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(H)	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]C)(CCH)(CN)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(H){2|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]C)(CCH)(CN){1|H<1>,3|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<2>,3|C<3>,3|H<1>}	113.3150	0.000	1	113.3150	0.000	1	113.3150	0.000	1	113.3150	0.000	1	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:1:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[3]-4:C[3,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(H)	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(H){1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	113.9610	0.000	1	113.9610	0.000	1	113.9610	0.000	1	113.9610	0.000	1	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[3,5]-4:Si-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]SiH)(H)	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]C)(SiC3)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<2>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]C)(SiC3)(H){1|O<2>,3|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	114.6190	0.000	1	114.6190	0.000	1	115.2123	0.307	3	115.2123	0.307	3	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[3,5]-4:Si-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H)	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(SiC3)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(SiC3)(H){1|O<1>,2|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<1>,4|H<1>}	115.3020	0.000	1	115.5090	0.086	2	115.2123	0.307	3	115.2123	0.307	3	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[3,5]-4:Si-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H)	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(SiC3)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<2>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(SiC3)(H){1|O<2>,3|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,4|H<1>}	115.7160	0.000	1	115.5090	0.086	2	115.2123	0.307	3	115.2123	0.307	3	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[3,5]-4:	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3]C[3]HH)2(C[5]C[5]H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3]C[3]HH)2(C[5]C[5]H){1|C<4>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5]){1|C<4>,3|C<3>,7|H<1>}	124.6170	0.074	2	124.6170	0.005	2	124.6170	0.005	2	124.6170	0.005	2	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:Br-1:Br-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(Br)2	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(Br)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	123.7300	0.000	1	123.7300	0.000	1	123.7300	0.000	1	125.1596	1.676	22	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	127.9960	0.000	1	127.6345	0.261	2	125.2277	1.652	21	125.1596	1.676	22	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,1|S<4>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|S<4>,3|C<3>,4|H<1>}	127.2730	0.000	1	127.6345	0.261	2	125.2277	1.652	21	125.1596	1.676	22	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|Br<1>,1|C<4>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	126.4160	0.000	1	126.4160	0.000	1	125.2277	1.652	21	125.1596	1.676	22	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	124.5060	0.000	1	124.4314	0.498	5	125.2277	1.652	21	125.1596	1.676	22	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	124.4128	0.813	4	124.4314	0.498	5	125.2277	1.652	21	125.1596	1.676	22	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]N)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]N){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,7|H<1>}	124.6570	1.475	2	124.6570	2.176	2	125.2277	1.652	21	125.1596	1.676	22	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O){1|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,6|H<1>}	124.6950	0.926	2	124.9010	0.348	4	125.2277	1.652	21	125.1596	1.676	22	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,7|H<1>}	125.1070	0.123	2	124.9010	0.348	4	125.2277	1.652	21	125.1596	1.676	22	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	126.9430	0.000	1	125.5440	3.914	2	125.2277	1.652	21	125.1596	1.676	22	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	124.1450	0.000	1	125.5440	3.914	2	125.2277	1.652	21	125.1596	1.676	22	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2{1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	123.1760	0.000	1	123.1760	0.000	1	125.2277	1.652	21	125.1596	1.676	22	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	125.9920	0.161	3	125.6895	0.383	4	125.2277	1.652	21	125.1596	1.676	22	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	124.7820	0.000	1	125.6895	0.383	4	125.2277	1.652	21	125.1596	1.676	22	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	132.2535	0.210	2	132.2535	0.044	2	125.8436	13.267	20	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,5|C<3>}	124.5960	0.000	1	124.5960	0.000	1	125.8436	13.267	20	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(CCH)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	122.4840	0.000	1	120.9167	2.188	3	125.8436	13.267	20	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(CCH)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	120.1330	0.832	2	120.9167	2.188	3	125.8436	13.267	20	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|Br<1>,1|C<4>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	124.1970	0.000	1	124.1970	0.000	1	125.8436	13.267	20	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	123.4210	0.963	2	123.4210	0.928	2	125.8436	13.267	20	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CNO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CNO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	129.3715	0.483	2	129.3715	0.233	2	125.8436	13.267	20	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	128.0540	0.000	1	128.0540	0.000	1	125.8436	13.267	20	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(CC[6a]O)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	129.8970	0.000	1	129.8970	0.000	1	125.8436	13.267	20	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CCO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CCO)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	124.3660	2.657	2	124.3660	7.061	2	125.8436	13.267	20	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|C<3>,3|H<1>}	123.3820	0.000	1	124.7800	3.294	3	125.8436	13.267	20	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	124.1270	0.000	1	124.7800	3.294	3	125.8436	13.267	20	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	126.8310	0.000	1	124.7800	3.294	3	125.8436	13.267	20	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(COO)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	125.5770	0.000	1	127.1065	4.679	2	125.8436	13.267	20	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(COO)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>,4|H<1>}	128.6360	0.000	1	127.1065	4.679	2	125.8436	13.267	20	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	131.9020	0.000	1	131.9020	0.000	1	125.8331	7.303	15	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|C<3>,3|H<1>}	130.0060	0.000	1	125.2731	6.442	9	125.8331	7.303	15	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	127.0090	0.426	2	125.2731	6.442	9	125.8331	7.303	15	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	124.7750	0.000	1	125.2731	6.442	9	125.8331	7.303	15	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	121.9570	0.000	1	125.2731	6.442	9	125.8331	7.303	15	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	125.3350	1.146	2	125.2731	6.442	9	125.8331	7.303	15	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>,4|H<1>}	123.3120	0.000	1	125.2731	6.442	9	125.8331	7.303	15	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	122.7200	0.000	1	125.2731	6.442	9	125.8331	7.303	15	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	122.7800	0.000	1	122.7800	0.000	1	125.8331	7.303	15	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	126.4617	0.510	3	126.3390	0.234	4	125.8331	7.303	15	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	125.9710	0.000	1	126.3390	0.234	4	125.8331	7.303	15	125.8391	10.421	35	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]S[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,3|C<3>,4|H<1>}	127.6500	0.000	1	127.6500	0.000	1	127.6500	0.000	1	128.3233	9.119	3	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3,6]-4:C-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]2)(CC[6a]O)(H)	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]2)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	131.6230	0.000	1	131.6230	0.000	1	131.6230	0.000	1	128.3233	9.119	3	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[3]-4:C[3,5]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	125.6970	0.000	1	125.6970	0.000	1	125.6970	0.000	1	128.3233	9.119	3	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:C-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]H){1|Br<1>,1|C<2>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	121.4360	0.000	1	121.4360	0.000	1	125.4078	6.478	6	125.3450	5.258	8	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:C-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CCO)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CCO)(COO){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	124.7860	0.642	2	124.7860	0.412	2	125.4078	6.478	6	125.3450	5.258	8	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:C-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)2	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,5|C<3>}	129.1970	0.000	1	129.1970	0.000	1	125.4078	6.478	6	125.3450	5.258	8	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:C-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(CC[6a]C)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(CC[6a]C)(COO){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	125.9570	0.000	1	126.1210	0.054	2	125.4078	6.478	6	125.3450	5.258	8	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:C-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(CC[6a]C)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,1|S<4>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(CC[6a]C)(COO){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|S<4>,3|C<3>,4|H<1>}	126.2850	0.000	1	126.1210	0.054	2	125.4078	6.478	6	125.3450	5.258	8	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	126.6270	0.000	1	126.6270	0.000	1	125.1565	4.325	2	125.3450	5.258	8	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CSiC)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CSiC){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	123.6860	0.000	1	123.6860	0.000	1	125.1565	4.325	2	125.3450	5.258	8	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:3:4:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CFHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CFHH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	123.7650	0.000	1	123.7650	0.000	1	123.7650	0.000	1	123.7650	0.000	1	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-4:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(CCCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]H){1|Br<1>,1|C<2>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(CCCH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	128.0250	0.000	1	128.0250	0.000	1	126.2235	7.096	6	126.2235	7.096	6	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-4:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CF3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CF3)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	123.3850	0.000	1	123.3850	0.000	1	126.2235	7.096	6	126.2235	7.096	6	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-4:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CH3)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	126.8790	4.303	2	126.8790	18.520	2	126.2235	7.096	6	126.2235	7.096	6	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-4:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CH3)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	124.5440	0.000	1	126.0865	4.759	2	126.2235	7.096	6	126.2235	7.096	6	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-4:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CH3)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	127.6290	0.000	1	126.0865	4.759	2	126.2235	7.096	6	126.2235	7.096	6	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(CF3)(COO)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O){1|H<1>,2|O<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(CF3)(COO){1|N<3>,3|O<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	129.7420	0.000	1	129.7420	0.000	1	129.7420	0.000	1	129.7420	0.000	1	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-4:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]C[5]HO)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]C[5]HO){2|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,8|H<1>}	122.3402	1.320	4	122.3402	1.743	4	122.3402	1.743	4	122.3402	1.743	4	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	3:4:4:4:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3]-4:C-4:	C[3,5]-4:C[3,5]-4:C-3:C-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]N[5]H)(C[3]C[3,5]CC)(CC[6a]HH)	C[3](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[3,5]N[5]H)(COO)(CN)	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]N[5]H)(C[3]C[3,5]CC)(CC[6a]HH){1|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[3,5]N[5]H)(COO)(CN){3|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	114.0990	0.000	1	114.0990	0.000	1	114.0990	0.000	1	114.0990	0.000	1	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[3]-4:H-1:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(H)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[5,6a]C[3,5]H)(CC[6a]O)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(H){3|H<1>,4|C<3>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[5,6a]C[3,5]H)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	114.5920	0.000	1	114.5920	0.000	1	114.5920	0.000	1	114.5920	0.000	1	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[3,5,6]-4:C[5,6a]-3:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5,6]-4:H-1:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5,6]C[5,6a]C[6a])(C[3,5,6]C[3,5]C[5,6]C[6])(H)2	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[3](C[3,5]C[3,5,6]C[5,6a]C[6a])(C[3,5,6]C[3,5]C[5,6]C[6])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[3]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3,5]C[5])2(CC[6a]O)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C[5])2(CC[6a]O)(H){2|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	130.7640	0.000	1	129.1935	4.933	2	129.1935	4.933	2	129.1935	4.933	2	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[3]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3,5]C[5])2(CC[6a]O)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C[5])2(CC[6a]O)(H){2|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	127.6230	0.000	1	129.1935	4.933	2	129.1935	4.933	2	129.1935	4.933	2	124.1284	16.862	148	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[5a]	4:4:3:4:	4:4:4:3:	4:3:3:	C[3,6,6]-4:C[3,6]-4:C[5a]-3:C[6]-4:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[5a]-3:N[5a]-3:	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH)	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[3,6]C[3,6,6]C[3,6]C[6])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH){1|C<4>,2|S<4>,4|C<3>,6|H<1>}	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,7|H<1>}	C[5a](C[3,6]C[3,6,6]C[3,6]C[6])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	122.0370	0.086	2	122.0370	0.007	2	122.0370	0.007	2	122.0370	0.007	2	122.0370	0.007	2	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[5a]	4:4:3:4:	4:4:4:1:	4:3:3:	C[3,6,6]-4:C[3,6]-4:C[5a]-3:C[6]-4:	C[3,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[5a]-3:N[5a]-3:	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH)	C[3,6](C[3,6]C[3,6,6]C[5a]C[6])(C[3,6,6]C[3,6]C[6]2)(C[6]C[6]HH)(H)	C[5a](C[3,6]C[3,6,6]C[3,6]C[6])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH){1|C<4>,2|S<4>,4|C<3>,6|H<1>}	C[3,6](C[3,6]C[3,6,6]C[5a]C[6])(C[3,6,6]C[3,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,5|H<1>}	C[5a](C[3,6]C[3,6,6]C[3,6]C[6])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	119.3080	1.261	2	119.3080	1.591	2	119.3080	1.591	2	119.3080	1.591	2	119.3080	1.591	2	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,6]	C[3]	C[5a,6]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5a,6]-3:N[3,6]-3:C[3]-4:C[6a]-3:	C[3,6]-4:N[3,6]-3:H-1:H-1:	N[5a,6]-3:C[3,6]-4:C[5a]-3:	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2)	C[3](C[3,6]C[5a,6]N[3,6]C[6a])(N[3,6]C[6,6a]C[3,6])(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[3,6]N[3,6]C[6a]C[3])(C[5a]C[5a,6a]H)	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[3](C[3,6]C[5a,6]N[3,6]C[6a])(N[3,6]C[6,6a]C[3,6])(H)2{1|N<3>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[3,6]N[3,6]C[6a]C[3])(C[5a]C[5a,6a]H){2|H<1>,6|C<3>}	116.8960	0.000	1	116.8960	0.000	1	116.8960	0.000	1	116.8960	0.000	1	119.7922	7.035	8	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,6]	C[3]	C[5a,6]	3:4:4:1:	4:4:3:1:	3:4:2:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	N[5a,6]-3:C[3,6]-4:N[5a]-2:	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a])	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H){6|C<3>}	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]){3|H<1>,4|C<3>}	118.4190	0.000	1	118.4190	0.000	1	118.4190	0.000	1	118.4190	0.000	1	119.7922	7.035	8	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,6]	C[3]	C[5a,6]	3:4:4:1:	4:4:3:1:	4:3:2:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:N[5a,6]-3:N[5a]-2:	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)(COO)(H)	C[5a,6](C[3,6]C[3,6]C[3]H)(N[5a,6]C[5a]N[6])(N[5a]C[5a])	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)(COO)(H){1|Cl<1>,1|N<3>,2|N<2>}	C[5a,6](C[3,6]C[3,6]C[3]H)(N[5a,6]C[5a]N[6])(N[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	121.2105	0.702	2	121.2105	0.493	2	121.2105	0.493	2	121.2105	0.493	2	119.7922	7.035	8	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,6]	C[3]	C[5a,6]	3:4:4:1:	4:4:3:3:	3:4:3:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-3:	C[5a,6]-3:C[3,6]-4:C[5a]-3:	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO)	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C)	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO){2|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	121.4450	0.000	1	121.4450	0.000	1	121.4450	0.000	1	120.4060	2.159	2	119.7922	7.035	8	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,6]	C[3]	C[5a,6]	3:4:4:1:	4:4:3:3:	3:4:3:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-3:	C[5a,6]-3:C[3,6]-4:N[5a]-3:	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO)	C[5a,6](C[5a,6]C[3,6]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]C)	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,2|C<4>,5|C<3>}	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[3,6]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]C){2|C<3>,3|C<4>,3|H<1>}	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	120.4060	2.159	2	119.7922	7.035	8	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,6]	C[3]	C[5a,6]	3:4:4:2:	4:2:1:1:	4:3:3:	C[5a,6]-3:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[5a,6]-3:N[5a]-3:	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[5a,6]C[6]O[3])(O[3]C[3,6])(H)2	C[5a,6](C[3,6]C[3]C[6]O[3])(C[5a,6]N[5a]C[6])(N[5a]N[5a]C)	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,2|H<1>,2|N<2>}	C[3](C[3,6]C[5a,6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[3,6]C[3]C[6]O[3])(C[5a,6]N[5a]C[6])(N[5a]N[5a]C){1|C<4>,1|O<2>,5|H<1>}	123.8650	0.000	1	123.8650	0.000	1	123.8650	0.000	1	123.8650	0.000	1	119.7922	7.035	8	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3,6]	C[3]	C[5a,6]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5a,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[5a,6]-3:C[5a]-3:	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2)	C[3](C[3,6]C[5a,6]C[3,6]C[6a])(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[5a,6](C[3,6]C[3,6]C[6a]C[3])(C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[3](C[3,6]C[5a,6]C[3,6]C[6a])(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[5a,6](C[3,6]C[3,6]C[6a]C[3])(C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H){1|S<4>,3|H<1>,5|C<3>}	115.9250	0.000	1	115.9250	0.000	1	115.9250	0.000	1	115.9250	0.000	1	119.7922	7.035	8	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:2:1:	4:2:4:4:	4:3:2:	C[5a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[5a]-3:O[5a]-2:	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H){1|H<1>,2|C<3>}	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<3>,1|O<2>}	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,3|C<4>}	120.7870	0.852	3	120.7870	0.726	3	120.7870	0.726	3	120.7870	0.726	3	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:3:1:	4:3:4:1:	3:4:3:	C[5a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C[5a,6a]-3:C[3]-4:C[5a]-3:	C[3](C[5a]C[5a,6a]C[5a])(C[3]N[3]CH)(N[3]C[3]S)(H)	C[3](C[3]C[5a]N[3]H)(N[3]C[3]S)(CHHN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[3]C[3]N[3]H)(C[5a]N[5a]C)	C[3](C[5a]C[5a,6a]C[5a])(C[3]N[3]CH)(N[3]C[3]S)(H){1|N<3>,3|C<3>}	C[3](C[3]C[5a]N[3]H)(N[3]C[3]S)(CHHN)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[3]C[3]N[3]H)(C[5a]N[5a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	118.9000	0.000	1	118.9000	0.000	1	118.9000	0.000	1	118.9000	0.000	1	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:3:3:	4:3:3:1:	4:3:2:	C[5a]-3:C[3]-4:N[3]-3:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[5a]-3:O[5a]-2:	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[5a](C[3]C[6a]C[3]N[3])(C[5a]C[5a]H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[5a](C[3]C[6a]C[3]N[3])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	117.2680	0.000	1	117.2680	0.000	1	117.2680	0.000	1	117.2680	0.000	1	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:3:4:1:	3:4:2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[5a]-3:C[3]-4:O[5a]-2:	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]C[3]H)(C[3]C[3]CN)(H)	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H)	C[5a](C[5a]C[5a]H)(C[3]C[3]2H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]C[3]H)(C[3]C[3]CN)(H){1|H<1>,4|C<3>}	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[3]C[3]2H)(O[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	120.6790	0.000	1	120.6790	0.000	1	120.6790	0.000	1	120.6790	0.000	1	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:3:4:3:	4:2:2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:N[5a]-2:O[5a]-2:	C[3](C[5a]N[5a]O[5a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a])	C[3](C[5a]N[5a]O[5a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(H){4|C<3>}	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	119.4160	0.000	1	119.4160	0.000	1	119.4160	0.000	1	119.4160	0.000	1	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:2:4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:Cl-1:H-1:	C[5a]-3:S[5a]-2:C[3]-4:	C[3](C[5a]C[5a]S[5a])(C[3]C[3]ClH)(C[3]C[3]HH)(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(Cl)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[3]C[3]2H)	C[3](C[5a]C[5a]S[5a])(C[3]C[3]ClH)(C[3]C[3]HH)(H){1|H<1>,2|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(Cl)(H){1|C<3>,1|S<2>}	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[3]C[3]2H){1|Cl<1>,2|C<3>,3|H<1>}	119.0810	0.000	1	119.0810	0.000	1	119.0810	0.000	1	121.1671	0.870	8	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:2:4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a]-3:O[5a]-2:C[3]-4:	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[3]C[3]2H)	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|O<2>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	121.5095	0.445	2	121.5095	0.198	2	121.5095	0.198	2	121.1671	0.870	8	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:2:4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a]-3:S[5a]-2:C[3]-4:	C[3](C[5a]C[5a]S[5a])(C[3]C[3]ClH)(C[3]C[3]HH)(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]ClH)(H)2	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[3]C[3]2H)	C[3](C[5a]C[5a]S[5a])(C[3]C[3]ClH)(C[3]C[3]HH)(H){1|H<1>,2|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]ClH)(H)2{1|C<3>,1|S<2>}	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[3]C[3]2H){1|Cl<1>,2|C<3>,3|H<1>}	121.7480	0.000	1	121.7480	0.000	1	121.5673	0.403	3	121.1671	0.870	8	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:2:4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a]-3:S[5a]-2:C[3]-4:	C[3](C[5a]C[5a]S[5a])(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](C[5a]C[5a,6a]B)(S[5a]C[5a,6a])(C[3]C[3]2H)	C[3](C[5a]C[5a]S[5a])(C[3]C[3]HH)2(H){1|B<4>,2|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|S<2>}	C[5a](C[5a]C[5a,6a]B)(S[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	121.4770	0.870	2	121.4770	0.756	2	121.5673	0.403	3	121.1671	0.870	8	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:2:4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[3]-4:	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[3]C[3]2H)	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|N<2>,1|N<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	121.2675	0.030	2	121.2675	0.001	2	121.2675	0.001	2	121.1671	0.870	8	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[3]-4:	C[3](C[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[3]C[3]2H)	C[3](C[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H){1|H<1>,1|N<3>,2|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[3]C[3]2H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	119.7655	1.316	2	119.7655	1.732	2	119.7655	1.732	2	121.2692	4.002	11	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[3]-4:	C[3](C[5a]C[5a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]CC)(H)2	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H)	C[3](C[5a]C[5a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|N<2>,1|N<3>,2|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H){1|S<4>,2|H<1>,6|C<3>}	123.7900	0.000	1	123.7900	0.000	1	123.7900	0.000	1	121.2692	4.002	11	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[3]-4:	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[3]C[3]2H)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[3]C[3]2H){2|C<3>,4|H<1>}	121.0990	0.212	2	121.0990	0.045	2	120.4043	1.362	6	121.2692	4.002	11	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[3]-4:	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[3]C[3]2H)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|H<1>,1|S<4>,2|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[3]C[3]2H){2|C<3>,4|H<1>}	120.8685	1.551	2	120.8685	2.405	2	120.4043	1.362	6	121.2692	4.002	11	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[3]-4:	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[3]C[3]2H)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[3]C[3]2H){1|C<3>,4|H<1>}	119.2455	0.530	2	119.2455	0.281	2	120.4043	1.362	6	121.2692	4.002	11	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	N[5a]-3:C[5a]-3:C[3]-4:	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[3]C[3]2H)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){2|C<3>,2|N<2>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[3]C[3]2H){2|C<3>,4|H<1>}	124.1070	0.100	2	124.1070	0.010	2	124.1070	0.010	2	121.2692	4.002	11	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a]-3:C[3]-4:N[5a]-2:	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<2>}	C[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){1|C<3>,4|H<1>}	120.2275	0.672	2	120.2275	0.452	2	119.7415	0.466	4	119.1533	1.296	24	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a]-3:C[3]-4:N[5a]-2:	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](C[5a]N[5a]N)(C[3]C[3]2H)(N[5a]O[5a])	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|O<2>,2|N<2>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<2>}	C[5a](C[5a]N[5a]N)(C[3]C[3]2H)(N[5a]O[5a]){4|H<1>}	119.2555	0.033	2	119.2555	0.001	2	119.7415	0.466	4	119.1533	1.296	24	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a]-3:C[3]-4:O[5a]-2:	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](C[5a]C[5a]C)(C[3]C[3]2H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H){1|C<4>,2|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]C)(C[3]C[3]2H)(O[5a]C[5a]){1|C<3>,1|S<2>,4|H<1>}	120.7545	0.269	2	120.7545	0.073	2	120.7545	0.073	2	119.1533	1.296	24	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	N[5a,5a]-3:C[3]-4:N[5a]-2:	C[3](C[5a]N[5a,5a]N[5a])(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]N[5a,5a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|N<2>,1|N<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|S<2>,2|C<3>,4|H<1>}	119.9167	0.502	4	119.9167	0.252	4	119.9167	0.252	4	119.1533	1.296	24	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	N[5a,6a]-3:C[3]-4:N[5a]-2:	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|N<2>,1|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|C<2>,2|C<3>,4|H<1>}	118.7805	1.771	2	118.6778	1.060	4	118.3397	0.895	12	119.1533	1.296	24	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	N[5a,6a]-3:C[3]-4:N[5a]-2:	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|N<2>,1|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|N<2>,2|C<3>,4|H<1>}	118.5750	0.014	2	118.6778	1.060	4	118.3397	0.895	12	119.1533	1.296	24	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	N[5a,6a]-3:C[3]-4:N[5a]-2:	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|N<2>,1|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|N<2>,2|C<3>,4|H<1>}	118.1707	0.924	8	118.1707	0.854	8	118.3397	0.895	12	119.1533	1.296	24	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	N[5a]-3:C[3]-4:N[5a]-2:	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](N[5a]C[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H){1|C<3>,1|H<1>,1|N<2>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){1|C<3>,4|H<1>}	119.7300	0.532	2	119.7300	0.283	2	119.7300	0.283	2	119.1533	1.296	24	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	4:2:2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N[5a]-2:N[5a]-2:	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a])	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H){1|C<3>,1|O<2>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{2|N<2>}	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,4|H<1>}	118.9642	1.103	12	118.9642	1.217	12	118.9642	1.217	12	118.9782	0.925	17	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	4:2:2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N[5a]-2:O[5a]-2:	C[3](C[5a]N[5a]O[5a])(C[3]C[3]HH)2(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2	C[5a](C[3]C[3]2H)(N[5a]N[5a])(O[5a]C[5a])	C[3](C[5a]N[5a]O[5a])(C[3]C[3]HH)2(H){1|C<3>,1|N<2>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(H)2{1|N<2>,1|O<2>}	C[5a](C[3]C[3]2H)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,4|H<1>}	119.2613	0.240	4	119.2613	0.058	4	119.0120	0.354	5	118.9782	0.925	17	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:1:1:	4:2:2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N[5a]-2:O[5a]-2:	C[3](C[5a]N[5a]O[5a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[6a]C[3]C)(H)2	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a])	C[3](C[5a]N[5a]O[5a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(H){4|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[6a]C[3]C)(H)2{1|N<2>,1|O<2>,2|C<3>}	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	118.0150	0.000	1	118.0150	0.000	1	119.0120	0.354	5	118.9782	0.925	17	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[5a]-3:C[5a]-3:C[3]-4:	C[3](C[5a]C[5a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(COO)2	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H)	C[3](C[5a]C[5a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|N<2>,1|N<3>,2|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(COO)2{2|C<3>}	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H){1|S<4>,2|H<1>,6|C<3>}	119.2010	0.000	1	119.2010	0.000	1	119.2010	0.000	1	119.2010	0.000	1	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:1:	4:4:3:3:	3:4:2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:N-3:	C[5a]-3:C[3]-4:O[5a]-2:	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]C[3]H)(C[3]C[3]CN)(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[6a]C[3]H)(COO)(NCH)	C[5a](C[5a]C[5a]H)(C[3]C[3]2H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]C[3]H)(C[3]C[3]CN)(H){1|H<1>,4|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[6a]C[3]H)(COO)(NCH){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[3]C[3]2H)(O[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	119.4880	0.000	1	119.4880	0.000	1	119.4880	0.000	1	119.4880	0.000	1	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:2:	4:3:4:2:	3:4:2:	C[5a]-3:C[3]-4:C[3]-4:O-2:	C[3]-4:C[6a]-3:C[3]-4:O-2:	C[5a]-3:C[3]-4:S[5a]-2:	C[3](C[5a]C[5a]S[5a])(C[3]C[6a]C[3]O)(C[3]C[3]CH)(OC)	C[3](C[3]C[5a]C[3]O)(C[6a]C[6a]2)(C[3]C[3]CH)(OC)	C[5a](C[5a]C[5a]H)(C[3]C[3]2O)(S[5a]C[5a])	C[3](C[5a]C[5a]S[5a])(C[3]C[6a]C[3]O)(C[3]C[3]CH)(OC){1|H<1>,4|C<3>}	C[3](C[3]C[5a]C[3]O)(C[6a]C[6a]2)(C[3]C[3]CH)(OC){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[3]C[3]2O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	124.2670	0.000	1	124.2670	0.000	1	124.2670	0.000	1	124.2670	0.000	1	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	3:4:4:2:	4:4:4:1:	3:4:2:	C[5a]-3:C[3]-4:C[3]-4:O-2:	C[3]-4:C[3]-4:C-4:H-1:	C[5a]-3:C[3]-4:S[5a]-2:	C[3](C[5a]C[5a]S[5a])(C[3]C[6a]C[3]O)(C[3]C[3]CH)(OC)	C[3](C[3]C[5a]C[3]O)(C[3]C[6a]C[3]O)(CH3)(H)	C[5a](C[5a]C[5a]H)(C[3]C[3]2O)(S[5a]C[5a])	C[3](C[5a]C[5a]S[5a])(C[3]C[6a]C[3]O)(C[3]C[3]CH)(OC){1|H<1>,4|C<3>}	C[3](C[3]C[5a]C[3]O)(C[3]C[6a]C[3]O)(CH3)(H){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[3]C[3]2O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.7930	0.000	1	118.7930	0.000	1	118.7930	0.000	1	118.7930	0.000	1	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	4:3:3:4:	4:3:4:1:	3:4:3:	C[3]-4:C[5a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[5a]-3:C[3]-4:C[5a]-3:	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[3](C[3]C[5a]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[5a](C[5a]C[5a]C[6a])(C[3]C[6a]C[3]2)(C[5a]N[5a]H)	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH){1|N<3>,3|H<1>,6|C<3>}	C[3](C[3]C[5a]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[3]C[6a]C[3]2)(C[5a]N[5a]H){1|S<4>,4|H<1>,5|C<3>}	119.4520	0.000	1	119.4520	0.000	1	119.4520	0.000	1	119.4520	0.000	1	119.7504	2.733	73	123.3365	16.076	420
486	486	727	0:SP3_SP2_SP3	C[3]	C[3]	C[5a]	4:3:3:4:	4:4:1:1:	3:4:3:	C[3]-4:C[5a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[5a]-3:C[3]-4:C[5a]-3:	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(H)2	C[5a](C[5a]C[5a]C[6a])(C[3]C[6a]C[3]2)(C[5a]N[5a]H)	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH){1|N<3>,3|H<1>,6|C<3>}	C[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(H)2{6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[3]C[6a]C[3]2)(C[5a]N[5a]H){1|S<4>,4|H<1>,5|C<3>}	116.3440	0.000	1	116.3440	0.000	1	116.3440	0.000	1	116.3440	0.000	1	119.7504	2.733	73	123.3365	16.076	420
486	486	727	5:SP3_SP2_SP3	C[3,5,5,6]	C[3,5,6]	C[5,6a]	4:4:3:4:	4:4:3:4:	4:3:3:	C[3,5,6]-4:C[3,5]-4:C[5,6a]-3:C[5,6]-4:	C[3,5,5,6]-4:C[3,5]-4:N[5]-3:C[6]-4:	C[3,5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH)	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	107.0280	0.000	1	107.0280	0.000	1	107.0280	0.000	1	107.0280	0.000	1	107.0280	0.000	1	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5,5]	C[3,5]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-4:	C[3,5,5]-4:C[3,5]-4:N[5]-3:H-1:	C[3,5,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH)	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H)	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,5|C<3>}	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	106.1280	0.332	2	106.1280	0.110	2	106.1280	0.110	2	106.1280	0.110	2	106.1280	0.110	2	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:4:2:	4:4:3:2:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3x6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:O[3]-2:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[3x6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6]){2|O<2>,3|C<4>,5|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6]){1|C<4>,1|N<4>,1|O<2>,7|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[3x6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|N<4>,1|O<2>,2|C<4>,6|C<3>}	105.2070	0.000	1	105.2070	0.000	1	105.2070	0.000	1	105.2070	0.000	1	105.8308	0.954	6	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:4:4:	4:3:4:4:	3:3:4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3]){3|C<4>,8|C<3>}	105.1740	0.000	1	105.1740	0.000	1	105.1740	0.000	1	105.5255	0.201	4	105.8308	0.954	6	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:4:4:	4:3:4:4:	3:3:4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[3,5,6,6]-4:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3]){3|C<4>,8|C<3>}	105.8030	0.000	1	105.8030	0.000	1	105.6427	0.219	3	105.5255	0.201	4	105.8308	0.954	6	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:4:4:	4:3:4:4:	3:3:4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[3,5,6,6]-4:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3]){3|C<4>,8|C<3>}	105.5625	0.631	2	105.5625	0.399	2	105.6427	0.219	3	105.5255	0.201	4	105.8308	0.954	6	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:4:3:2:	4:3:4:2:	4:3:3:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:O[3]-2:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3x6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6]){1|C<4>,1|N<4>,1|O<2>,7|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6]){2|O<2>,3|C<4>,5|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|O<2>,2|C<4>,6|C<3>}	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	105.8308	0.954	6	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:C[6]-4:	C[3,5,6]-4:C[3,6]-4:N[5]-3:H-1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH)	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H)	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	104.3650	0.584	2	104.3650	0.341	2	104.3650	0.341	2	104.3650	0.341	2	104.3650	0.341	2	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,3x5]	C[5,6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,3x5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5]-4:C[3x5]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,3x5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[3x5]C[5,6a]2C[5])(C[5]O[5]O)	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[3,3x5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[3x5]C[5,6a]2C[5])(C[5]O[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	105.3520	0.000	1	105.3520	0.000	1	105.3520	0.000	1	105.3520	0.000	1	105.0865	0.141	2	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,3x5]	C[5,6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,3x5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5]-4:C[3x5]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,3x5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[3x5]C[5,6a]2C[5])(C[5]O[5]O)	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[3,3x5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[3x5]C[5,6a]2C[5])(C[5]O[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	104.8210	0.000	1	104.8210	0.000	1	104.8210	0.000	1	104.8210	0.000	1	105.0865	0.141	2	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	104.2580	0.000	1	104.2580	0.000	1	104.1873	0.004	3	104.1873	0.004	3	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	104.1520	0.000	2	104.1520	0.000	2	104.1873	0.004	3	104.1873	0.004	3	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,6|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	108.4100	0.000	1	108.4100	0.000	1	108.4100	0.000	1	107.2911	0.960	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]O)(C[3,5]C[3,5]C[5]C)(COO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|H<1>,3|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]O)(C[3,5]C[3,5]C[5]C)(COO){2|C<3>,2|H<1>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	107.4650	0.000	1	107.4650	0.000	1	107.1285	0.226	2	107.2911	0.960	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]C)(C[3,5]C[3,5]C[5]H)(CC[6a]O)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]C)(C[3,5]C[3,5]C[5]H)(CC[6a]O){2|C<3>,2|H<1>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.7920	0.000	1	106.7920	0.000	1	107.1285	0.226	2	107.2911	0.960	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O){4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	108.5480	0.000	1	108.2445	0.184	2	107.2012	1.399	6	107.2911	0.960	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O){4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	107.9410	0.000	1	108.2445	0.184	2	107.2012	1.399	6	107.2911	0.960	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(CNO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(CNO){4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.4210	0.000	1	106.4210	0.000	1	107.2012	1.399	6	107.2911	0.960	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COO){4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.0460	0.000	1	106.0460	0.000	1	107.2012	1.399	6	107.2911	0.960	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COS)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COS){4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.9680	0.000	1	105.9680	0.000	1	107.2012	1.399	6	107.2911	0.960	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2N)(CC[6a]O)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2N)(CC[6a]O){4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	108.2830	0.000	1	108.2830	0.000	1	107.2012	1.399	6	107.2911	0.960	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:P-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]P)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[5,6a]C[3,5]P)(C[5,5]C[5,6a]2H)(PC[6a]2)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]P)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[5,6a]C[3,5]P)(C[5,5]C[5,6a]2H)(PC[6a]2){4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|P<3>,3|C<3>,3|H<1>}	107.0370	0.000	1	107.0370	0.000	1	107.0370	0.000	1	107.2911	0.960	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,5]-4:C[3,5]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]2)(COO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5]H)(C[3,5]C[3,5]C[5]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]2)(COO){2|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5]H)(C[3,5]C[3,5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,3|H<1>,6|C<3>}	106.7230	0.000	1	106.7230	0.000	1	106.7230	0.000	1	106.7230	0.000	1	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,6|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	106.4940	0.000	1	106.4940	0.000	1	106.4940	0.000	1	106.7495	2.730	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,5]-4:C[3,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5,6]H)(C[3,5]C[3,5]C[5,6]H)(COS)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5,6]H)(C[3,5]C[3,5]C[5,6]H)(COS){1|C<2>,3|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	105.0310	0.000	1	105.0310	0.000	1	105.0310	0.000	1	106.7495	2.730	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:P[5,5]-4:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Se<1>,4|H<1>,7|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H){1|Se<1>,3|H<1>,6|C<3>}	110.8690	0.000	1	110.8690	0.000	1	110.8690	0.000	1	106.7495	2.730	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O){4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	107.0050	0.000	1	106.9745	0.002	2	106.4595	0.782	6	106.7495	2.730	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O){4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.9440	0.000	1	106.9745	0.002	2	106.4595	0.782	6	106.7495	2.730	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2N)(CC[6a]O)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2N)(CC[6a]O){4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	107.4520	0.000	1	107.4520	0.000	1	106.4595	0.782	6	106.7495	2.730	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CNO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(CNO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CNO){2|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(CNO){4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	106.4220	0.000	1	106.4220	0.000	1	106.4595	0.782	6	106.7495	2.730	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO){1|Cl<1>,1|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COO){4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl){4|C<3>,4|H<1>}	105.0090	0.000	1	105.0090	0.000	1	106.4595	0.782	6	106.7495	2.730	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COS)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COS){4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	105.9250	0.000	1	105.9250	0.000	1	106.4595	0.782	6	106.7495	2.730	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:P-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:P-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(PC[6a]2)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[5,6a]C[3,5]P)(C[5,5]C[5,6a]2H)(PC[6a]2)	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(PC[6a]2){2|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[5,6a]C[3,5]P)(C[5,5]C[5,6a]2H)(PC[6a]2){4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|P<3>,3|C<3>,4|H<1>}	106.3440	0.000	1	106.3440	0.000	1	106.3440	0.000	1	106.7495	2.730	10	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6a]	4:4:3:4:	4:4:4:4:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-4:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)2(C[5,5]C[5,6a]2C)(CCHH)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)2(C[5,5]C[5,6a]2C)(CCHH){4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	106.4215	0.769	2	106.4215	0.591	2	106.4215	0.591	2	106.4215	0.591	2	106.6359	2.252	26	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5,6a]	4:3:4:3:	4:4:4:3:	4:3:3:	C[3,5,6]-4:C[5,6a]-3:C[3]-4:C[6a]-3:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H)	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	104.0660	0.000	1	104.0660	0.000	1	104.0660	0.000	1	104.0660	0.000	1	104.2050	0.039	2	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5,6a]	4:4:3:4:	4:4:3:4:	4:3:3:	C[3,5,6]-4:C[3,6]-4:C[5,6a]-3:C-4:	C[3,5]-4:C[3,6]-4:N[5]-3:C[6]-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH)	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH){2|C<4>,3|C<3>,5|H<1>}	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	104.3440	0.000	1	104.3440	0.000	1	104.3440	0.000	1	104.3440	0.000	1	104.2050	0.039	2	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,5a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[5,5a]-3:C[3,5]-4:C[3]-4:C-3:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	N[5,5a]-3:C[3,5]-4:C[5a]-3:	C[3,5](C[5,5a]N[5,5a]C[5a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(COO)	C[3,5](C[3,5]C[5,5a]C[3]C)(C[5]N[5,5a]HH)(C[3]C[3,5]HH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[3,5]C[3,5]C[3]C)(C[5a]C[5a,6a]C)	C[3,5](C[5,5a]N[5,5a]C[5a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(COO){2|H<1>,3|C<3>}	C[3,5](C[3,5]C[5,5a]C[3]C)(C[5]N[5,5a]HH)(C[3]C[3,5]HH)(H){2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[3,5]C[3,5]C[3]C)(C[5a]C[5a,6a]C){2|C<3>,5|H<1>}	104.5380	0.000	1	104.5380	0.000	1	104.5380	0.000	1	104.5380	0.000	1	104.5380	0.000	1	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	3:4:2:1:	4:4:2:4:	3:4:3:	C[5,6a]-3:C[3,5]-4:O[3]-2:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H)	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	108.2920	0.000	1	108.2920	0.000	1	108.2920	0.000	1	108.2920	0.000	1	106.0220	2.160	16	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	3:4:4:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[3]-4:C[3,5]-4:H-1:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(H)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[5,6a])(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(H){1|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	102.7390	0.000	1	102.7390	0.000	1	102.7390	0.000	1	102.7390	0.000	1	106.0220	2.160	16	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]SiH)(C[5]C[5,6a]O)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<1>,2|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]SiH)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<1>,4|H<1>}	106.1550	0.000	1	106.1550	0.000	1	106.1550	0.000	1	106.1550	0.000	1	106.0220	2.160	16	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<2>,3|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(H){4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,4|H<1>}	106.3250	0.000	1	106.3250	0.000	1	106.3250	0.000	1	106.3250	0.000	1	106.0220	2.160	16	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	3:4:4:1:	4:4:4:2:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(H)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]H)(C[3]C[3,5]CC)(CN)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(H){2|H<1>,3|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]H)(C[3]C[3,5]CC)(CN){4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<2>,3|C<3>,3|H<1>}	105.6010	0.000	1	105.6010	0.000	1	105.6010	0.000	1	105.6010	0.000	1	106.0220	2.160	16	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	3:4:4:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]SiH)(H)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(CH3)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<2>,3|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(CH3){4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	106.8590	0.000	1	106.8590	0.000	1	106.8590	0.000	1	106.8590	0.000	1	106.0220	2.160	16	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	3:4:4:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3]-4:C-4:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]N[5]H)(C[3]C[3,5]CC)(CC[6a]HH)	C[3,5](C[3,5]C[5,6a]C[3]C)(C[3]C[3,5]CC)(N[5]C[5,6a]C)(H)	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]N[5]H)(C[3]C[3,5]CC)(CC[6a]HH){1|H<1>,3|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C)(C[3]C[3,5]CC)(N[5]C[5,6a]C)(H){2|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	103.7980	0.000	1	103.7980	0.000	1	103.7980	0.000	1	103.7980	0.000	1	106.0220	2.160	16	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:2:1:	4:4:3:2:	4:3:3:	C[3,5]-4:C[5,6a]-3:O[3]-2:H-1:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5])	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H){1|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5]){2|H<1>,6|C<3>}	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	108.1360	0.000	1	108.1360	0.000	1	108.1360	0.000	1	108.1360	0.000	1	106.0220	2.160	16	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:3:4:	4:3:3:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:N[3]-3:C-4:	C[3,5]-4:N[5]-3:C[6a]-3:N[3]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3)	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H)	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3){1|H<1>,1|S<4>,4|C<3>}	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	105.0020	0.000	1	105.0020	0.000	1	105.0020	0.000	1	105.0020	0.000	1	106.0220	2.160	16	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:1:	4:4:4:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	106.1940	0.000	1	106.5070	0.773	4	106.5070	0.773	4	106.5070	0.773	4	106.0220	2.160	16	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:1:	4:4:4:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H){1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	106.0330	0.000	1	106.5070	0.773	4	106.5070	0.773	4	106.5070	0.773	4	106.0220	2.160	16	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:1:	4:4:4:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	106.9005	1.299	2	106.5070	0.773	4	106.5070	0.773	4	106.5070	0.773	4	106.0220	2.160	16	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,6]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]C[5]H)(H)	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[3,5]C[5,6a]C[3,6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]C[5]H)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[3,5]C[5,6a]C[3,6]H)(C[5]C[5,6a]HH)(H){1|N<2>,1|O<2>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	105.2970	0.272	2	105.2970	0.074	2	105.2970	0.074	2	105.2970	0.074	2	106.0220	2.160	16	106.1208	2.117	58
486	486	727	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[3]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(H)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]HH)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(H){3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]HH)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	106.8230	0.000	1	106.8230	0.000	1	106.8230	0.000	1	106.8230	0.000	1	106.0220	2.160	16	106.1208	2.117	58
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,3x6]	C[5,6,6a]	4:3:4:2:	4:4:4:2:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[3,3x6]-4:O[3]-2:	C[3,5,6,6]-4:C[3x6]-4:C[6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6])	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6])	C[5,6,6a](C[3,5,6,6]C[3,3x6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6]){1|N<4>,2|C<4>,3|O<2>,5|C<3>}	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6]){2|C<4>,3|O<2>,6|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,3x6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6]){2|O<2>,3|C<4>,5|C<3>}	116.3980	0.000	1	116.3980	0.000	1	116.3980	0.000	1	116.3980	0.000	1	116.3980	0.000	1	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:2:	4:3:3:2:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O[3]-2:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6]){2|C<4>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6]){1|N<3>,2|C<4>,7|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,8|C<3>}	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	116.9395	0.080	2	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:2:	4:3:3:2:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O[3]-2:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6]){2|C<4>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6]){1|N<3>,2|C<4>,7|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){9|C<3>}	116.7400	0.000	1	116.7400	0.000	1	116.7400	0.000	1	116.9395	0.080	2	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	114.9743	1.347	3	114.9743	1.813	3	115.1230	0.516	9	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	115.3525	0.150	4	115.3525	0.023	4	115.1230	0.516	9	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	114.8870	0.212	2	114.8870	0.045	2	115.1230	0.516	9	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	115.6407	0.415	3	115.6407	0.173	3	115.3206	0.398	9	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	116.3660	0.000	1	116.3660	0.000	1	115.3206	0.398	9	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,9|C<3>}	115.4450	0.000	1	115.4450	0.000	1	115.3206	0.398	9	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,9|C<3>}	114.7880	0.311	4	114.7880	0.097	4	115.3206	0.398	9	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,9|C<3>}	115.0600	0.000	1	115.0600	0.000	1	115.1815	0.536	28	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CH)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CH){8|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CH){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|H<1>,9|C<3>}	115.3040	1.013	8	115.3040	1.025	8	115.1815	0.536	28	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<2>,9|C<3>}	116.0760	0.394	3	115.1363	0.396	19	115.1815	0.536	28	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,9|C<3>}	114.9601	0.495	16	115.1363	0.396	19	115.1815	0.536	28	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	114.9110	0.000	1	114.9110	0.000	1	115.1105	0.080	2	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<2>,9|C<3>}	115.3100	0.000	1	115.3100	0.000	1	115.1105	0.080	2	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	115.7060	0.000	1	115.7060	0.000	1	115.7060	0.000	1	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,9|C<3>}	114.3370	0.000	1	114.3370	0.000	1	114.3370	0.000	1	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	114.9705	0.616	2	114.9705	0.379	2	114.9705	0.379	2	115.1784	0.462	52	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	4:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC){2|C<4>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)2(C[3]C[3,5,6,6]CC){2|Ru<5>,2|C<4>,6|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	114.7790	1.097	2	114.7790	1.204	2	114.7790	1.204	2	115.6354	0.852	10	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	4:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC){2|C<4>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)2(C[3]C[3,5,6,6]CC){2|Ru<5>,2|C<4>,6|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	114.8845	0.627	2	114.8845	0.393	2	114.8845	0.393	2	115.6354	0.852	10	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	4:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	116.0360	0.533	4	116.0360	0.284	4	116.1712	0.350	6	115.6354	0.852	10	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:3:4:4:	4:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	116.4415	0.824	2	116.4415	0.679	2	116.1712	0.350	6	115.6354	0.852	10	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:4:3:4:	3:4:3:4:	4:3:3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	115.8210	0.564	2	115.8210	0.318	2	115.8210	0.318	2	116.0100	0.261	4	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:4:3:4:	3:4:3:4:	4:3:3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	116.1990	0.567	2	116.1990	0.322	2	116.1990	0.322	2	116.0100	0.261	4	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	3:4:3:4:	4:3:3:4:	4:3:3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	115.8495	0.005	2	115.8495	0.000	2	115.8495	0.000	2	115.8495	0.000	2	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:3:4:	3:3:4:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	115.7653	0.560	6	115.7653	0.314	6	115.7653	0.314	6	115.7653	0.314	6	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:3:4:	3:4:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	115.6850	0.464	2	115.6850	0.215	2	115.6850	0.215	2	115.6925	0.076	4	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:3:4:	3:4:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	115.7000	0.112	2	115.7000	0.012	2	115.7000	0.012	2	115.6925	0.076	4	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	115.7210	0.283	2	115.7210	0.080	2	115.7210	0.080	2	116.0082	0.255	23	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	116.0215	0.738	2	116.0215	0.544	2	115.8860	0.207	4	116.0082	0.255	23	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	115.7505	0.062	2	115.7505	0.004	2	115.8860	0.207	4	116.0082	0.255	23	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	116.0708	0.537	17	116.0708	0.289	17	116.0708	0.289	17	116.0082	0.255	23	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:4:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){3|C<4>,8|C<3>}	116.3385	0.132	2	116.3385	0.017	2	116.3385	0.017	2	116.3358	0.049	8	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:4:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){3|C<4>,8|C<3>}	116.1940	0.000	1	116.1940	0.000	1	116.3137	0.069	3	116.3358	0.049	8	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:4:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){2|C<4>,8|C<3>}	116.1330	0.000	1	116.1330	0.000	1	116.3137	0.069	3	116.3358	0.049	8	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:4:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){3|C<4>,8|C<3>}	116.6140	0.000	1	116.6140	0.000	1	116.3137	0.069	3	116.3358	0.049	8	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:4:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){2|C<4>,8|C<3>}	116.1470	0.000	1	116.1470	0.000	1	116.1470	0.000	1	116.3358	0.049	8	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:4:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){2|C<4>,8|C<3>}	116.4605	0.344	2	116.4605	0.119	2	116.4605	0.119	2	116.3358	0.049	8	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:4:4:	4:3:3:4:	3:3:4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3]){3|C<4>,8|C<3>}	113.1010	0.000	1	113.1010	0.000	1	113.1010	0.000	1	112.5870	0.203	4	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:4:4:	4:3:3:4:	3:3:4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[3,5,6,6]-4:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3]){3|C<4>,8|C<3>}	112.4157	0.359	3	112.4157	0.129	3	112.4157	0.129	3	112.5870	0.203	4	115.4942	0.855	115	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[5,6,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,5,6]-4:C[3]-4:C[6]-3:H-1:	C[3,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O)	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[3]C[3,5,6]CC)(C[6]C[6]O)(H)	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>}	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[3]C[3,5,6]CC)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	116.8510	0.000	1	116.8510	0.000	1	116.8510	0.000	1	116.8510	0.000	1	116.9740	0.030	2	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[5,6,6a]	3:4:4:3:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,5,6]-4:C[5,6]-4:C[3]-4:H-1:	C[3,5,6]-4:C[6,6a]-3:C[5,6a]-3:	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[5]N[5]O)	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[5,6]C[5,6]C[5]O)(C[3]C[3,5,6]CC)(H)	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5])	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[5]N[5]O){1|O<2>,2|C<3>,3|C<4>}	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[5,6]C[5,6]C[5]O)(C[3]C[3,5,6]CC)(H){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5]){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	117.0970	0.000	1	117.0970	0.000	1	117.0970	0.000	1	117.0970	0.000	1	116.9740	0.030	2	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6]	C[5a,6,6]	4:4:3:1:	4:4:4:1:	3:4:3:	C[3,5,6]-4:C[3,5,6]-4:C[5a,6,6]-3:H-1:	C[3,6,6]-4:C[3,5,6]-4:C[5,6,6]-4:H-1:	C[5a,6,6]-3:C[3,6,6]-4:C[5a]-3:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]H)(C[3,5,6]C[3,5,6]C[5,6]H)(C[5a,6,6]C[5a,6,6]C[5a])(H)	C[3,5,6](C[3,6,6]C[5a,6,6]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(H)	C[5a,6,6](C[5a,6,6]C[5,3x6]N[5a])(C[3,6,6]C[3,5,6]2H)(C[5a]C[5a]N)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]H)(C[3,5,6]C[3,5,6]C[5,6]H)(C[5a,6,6]C[5a,6,6]C[5a])(H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[3,5,6](C[3,6,6]C[5a,6,6]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6,6](C[5a,6,6]C[5,3x6]N[5a])(C[3,6,6]C[3,5,6]2H)(C[5a]C[5a]N){3|H<1>,4|C<4>}	115.2700	0.000	1	115.2700	0.000	1	115.2700	0.000	1	115.5140	0.119	2	115.5140	0.119	2	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6]	C[5a,6,6]	4:4:3:1:	4:4:4:1:	3:4:3:	C[3,5,6]-4:C[3,5,6]-4:C[5a,6,6]-3:H-1:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:H-1:	C[5a,6,6]-3:C[3,6,6]-4:C[5a]-3:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]H)(C[3,5,6]C[3,5,6]C[5,6]H)(C[5a,6,6]C[5a,6,6]C[5a])(H)	C[3,5,6](C[3,6,6]C[5a,6,6]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6,6]H)(C[5,6]C[5,3x6]C[6a]H)(H)	C[5a,6,6](C[5a,6,6]C[5,3x6]N[5a])(C[3,6,6]C[3,5,6]2H)(C[5a]C[5a]N)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]H)(C[3,5,6]C[3,5,6]C[5,6]H)(C[5a,6,6]C[5a,6,6]C[5a])(H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[3,5,6](C[3,6,6]C[5a,6,6]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6,6]H)(C[5,6]C[5,3x6]C[6a]H)(H){1|H<1>,2|C<4>,4|C<3>}	C[5a,6,6](C[5a,6,6]C[5,3x6]N[5a])(C[3,6,6]C[3,5,6]2H)(C[5a]C[5a]N){3|H<1>,4|C<4>}	115.7580	0.000	1	115.7580	0.000	1	115.7580	0.000	1	115.5140	0.119	2	115.5140	0.119	2	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[5a,6]	3:4:4:1:	3:4:4:1:	3:4:2:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	N[5a,6]-3:C[3,6]-4:N[5a]-2:	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a])	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H){6|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]){3|H<1>,4|C<3>}	116.4530	0.000	1	116.4530	0.000	1	116.4530	0.000	1	116.4530	0.000	1	115.5175	4.023	6	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[5a,6]	3:4:4:1:	4:4:3:1:	4:3:2:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:N[5a,6]-3:N[5a]-2:	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]Cl)(H)	C[5a,6](C[3,6]C[3,6]C[3]H)(N[5a,6]C[5a]N[6])(N[5a]C[5a])	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]Cl)(H){1|N<2>,1|N<3>}	C[5a,6](C[3,6]C[3,6]C[3]H)(N[5a,6]C[5a]N[6])(N[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	114.1185	0.209	2	114.1185	0.044	2	114.1185	0.044	2	114.1185	0.044	2	115.5175	4.023	6	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C[3]-4:H-1:	C[5a,6]-3:C[3,6]-4:C[5a]-3:	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C)	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	118.5760	0.000	1	118.5760	0.000	1	118.5760	0.000	1	117.5550	2.085	2	115.5175	4.023	6	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C[3]-4:H-1:	C[5a,6]-3:C[3,6]-4:N[5a]-3:	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	C[5a,6](C[5a,6]C[3,6]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]C)	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,2|C<4>,5|C<3>}	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]C[3,6]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]C){2|C<3>,3|C<4>,3|H<1>}	116.5340	0.000	1	116.5340	0.000	1	116.5340	0.000	1	117.5550	2.085	2	115.5175	4.023	6	115.5263	0.982	126
486	486	727	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[5a,6]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5a,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[5a,6]-3:C[5a]-3:	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2)	C[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(H)	C[5a,6](C[3,6]C[3,6]C[6a]C[3])(C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(H){1|H<1>,8|C<3>}	C[5a,6](C[3,6]C[3,6]C[6a]C[3])(C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H){1|S<4>,3|H<1>,5|C<3>}	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	115.5175	4.023	6	115.5263	0.982	126
486	486	762	0:SP3_SP2_SP3	C[3,3x6]	C[3,6,6]	C[6]	4:4:3:2:	4:4:2:1:	4:3:1:	C[5,4x6]-4:C[3,6,6]-4:C[6]-3:O[3]-2:	C[3,3x6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,3x6]-4:C[6,6a]-3:O-1:	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6])	C[3,6,6](C[3,3x6]C[5,4x6]C[6]O[3])(C[3x6]C[6,6]2H)(O[3]C[3,3x6])(H)	C[6](C[3,3x6]C[3,6,6]C[5,4x6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[3,6,6](C[3,3x6]C[5,4x6]C[6]O[3])(C[3x6]C[6,6]2H)(O[3]C[3,3x6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[3,3x6]C[3,6,6]C[5,4x6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	120.8420	0.447	2	120.8420	0.200	2	120.8420	0.200	2	120.8420	0.200	2	120.8420	0.200	2	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,5]	C[3,5]	C[6]	4:4:4:3:	4:4:3:3:	4:4:3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6]-3:	C[3,5,5]-4:C[3,5]-4:C[5]-3:C-3:	C[3,5,5]-4:C[6]-4:C[6]-3:	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]O[5]H)(C[6]C[6]2)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6])(C[3,5]C[3,5,5]C[5]H)(C[5]O[5]O)(CCN)	C[6](C[3,5,5]C[3,5]2C[5,5])(C[6]C[6]HH)(C[6]C[6]H)	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]O[5]H)(C[6]C[6]2){1|O<1>,2|C<4>,7|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6])(C[3,5]C[3,5,5]C[5]H)(C[5]O[5]O)(CCN){1|C<3>,2|C<4>,3|H<1>}	C[6](C[3,5,5]C[3,5]2C[5,5])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	122.1248	0.326	4	122.1248	0.106	4	122.1248	0.106	4	122.1248	0.106	4	125.1123	10.718	8	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,5]	C[3,5]	C[6]	4:4:4:3:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6]-3:	C[3,5,5]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5,5]-4:C[6]-4:C[6]-3:	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]O[5]H)(C[6]C[6]2)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6])(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]HH)(H)	C[6](C[3,5,5]C[3,5]2C[5,5])(C[6]C[6]HH)(C[6]C[6]H)	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]O[5]H)(C[6]C[6]2){1|O<1>,2|C<4>,7|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6])(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[3,5,5]C[3,5]2C[5,5])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	128.0998	1.050	4	128.0998	1.102	4	128.0998	1.102	4	128.0998	1.102	4	125.1123	10.718	8	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6]	C[6]	4:4:4:3:	4:4:4:1:	4:2:1:	C[3,3x6]-4:C[3,5,6]-4:C[5,6]-4:C[6]-3:	C[3,5,6,6]-4:C[3,3x6]-4:C[5,6]-4:H-1:	C[3,5,6,6]-4:O[6]-2:O-1:	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]HH)(H)	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(O[6]C[6])(O)	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]O[6]O){4|C<4>,5|H<1>}	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(O[6]C[6])(O){4|C<4>,5|H<1>}	123.5260	0.000	1	123.5260	0.000	1	123.5260	0.000	1	123.5260	0.000	1	123.5260	0.000	1	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6,6]	C[3,6,6]	C[6]	4:4:4:3:	4:4:3:2:	4:3:1:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:C-2:	C[3,5,6,6]-4:C[6]-3:H-1:	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H)	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])(C[3,5,6,6]C[3,5,6,6]C[5,6]2)(C[6,6]C[6,6]O)(CN)	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[5,6]H)(H)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])(C[3,5,6,6]C[3,5,6,6]C[5,6]2)(C[6,6]C[6,6]O)(CN){2|C<3>,2|C<4>,7|H<1>}	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[5,6]H)(H){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	118.1810	0.754	2	118.1810	0.568	2	118.1810	0.568	2	118.1810	0.568	2	117.9260	0.479	3	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6,6]	C[3,6,6]	C[6]	4:4:4:3:	4:4:3:3:	4:3:1:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:C-3:	C[3,5,6,6]-4:C[6]-3:O-1:	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]O)	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])2(C[6,6]C[6,6]H)(COO)	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(O)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]O){2|C<3>,7|H<1>}	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])2(C[6,6]C[6,6]H)(COO){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	117.4160	0.000	1	117.4160	0.000	1	117.4160	0.000	1	117.4160	0.000	1	117.9260	0.479	3	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[6]	4:4:3:2:	4:3:3:2:	4:3:1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[6,6a]-3:C[5,6]-3:O[3]-2:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6])	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,2|H<1>,5|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,5|C<3>}	132.0650	0.000	1	132.0650	0.000	1	132.0650	0.000	1	132.0650	0.000	1	132.0650	0.000	1	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6]	4:3:2:3:	4:2:4:4:	4:3:2:	C[3,5]-4:C[5,6]-3:O[3]-2:C[6]-3:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[3,5,6]-4:C[6]-3:O-2:	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCl2H)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]H)(OC)	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O){1|C<3>,6|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCl2H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]H)(OC){1|C<3>,1|O<1>,3|C<4>}	129.7630	0.000	1	129.7630	0.000	1	129.7630	0.000	1	129.7630	0.000	1	121.9005	27.205	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6]	4:4:3:3:	4:4:4:4:	4:2:2:	C[3,5]-4:C[3,6]-4:C[5]-3:C[6]-3:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-4:	C[3,5,6]-4:O[6]-2:O-2:	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]P[5]C)(C[6]O[6]O)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]P[5]HH)(CH3)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(O[6]B[6])(OC)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]P[5]C)(C[6]O[6]O){1|B<4>,2|C<4>,4|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]P[5]HH)(CH3){1|B<4>,1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(O[6]B[6])(OC){1|H<1>,1|P<4>,3|C<3>,3|C<4>}	117.1810	0.000	1	117.1810	0.000	1	117.1810	0.000	1	117.1810	0.000	1	121.9005	27.205	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6]	4:4:4:3:	4:3:4:3:	4:3:1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[3,5,6]-4:C[5,6a]-3:C[3]-4:C[6a]-3:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(H)	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(H){1|N<3>,3|C<3>,5|H<1>}	118.7660	0.000	1	118.7660	0.000	1	118.7660	0.000	1	118.7660	0.000	1	121.9005	27.205	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6]	4:4:4:3:	4:4:3:3:	4:3:1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[3,5,6]-4:C[3]-4:C[5]-3:C[6]-3:	C[3,5,6]-4:C[6]-3:O-1:	C[3,5,6](C[3,5]C[3]C[5]C[6])(C[5,6]C[5]C[6]H)(C[3]C[3,5]HH)(C[6]C[6]O)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]O)(C[6]C[6]2)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O)	C[3,5,6](C[3,5]C[3]C[5]C[6])(C[5,6]C[5]C[6]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|O<1>,3|C<3>,5|H<1>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]O)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	117.7890	0.000	1	117.7890	0.000	1	117.7890	0.000	1	117.7890	0.000	1	121.9005	27.205	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6]	4:4:4:3:	4:4:4:1:	4:2:1:	C[5,5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[3,5,6]-4:C[5,5]-4:C[3]-4:H-1:	C[3,5,6]-4:O[6]-2:O-1:	C[3,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[6]O[6]O)	C[3,5](C[3,5,6]C[5,5,6]C[3]C[6])(C[5,5]C[3x5]C[5]H)(C[3]C[3,5,6]HH)(H)	C[6](C[3,5,6]C[5,5,6]C[3,5]C[3])(O[6]C[6])(O)	C[3,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[6]O[6]O){1|C<3>,3|C<4>,3|H<1>}	C[3,5](C[3,5,6]C[5,5,6]C[3]C[6])(C[5,5]C[3x5]C[5]H)(C[3]C[3,5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,5,6]C[5,5,6]C[3,5]C[3])(O[6]C[6])(O){3|C<4>,6|H<1>}	118.8290	0.000	1	118.8290	0.000	1	118.8290	0.000	1	118.8290	0.000	1	121.9005	27.205	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6]	4:4:4:3:	4:4:4:1:	4:3:1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[3,5,6]-4:C[6]-3:O-1:	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[6]O[5]H)(C[3]C[3,5]HH)(C[6]C[6]O)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]O[5]CC)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O)	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[6]O[5]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]O[5]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O){1|O<2>,3|C<4>,4|H<1>}	131.8970	0.000	1	131.8970	0.000	1	131.8970	0.000	1	124.2272	30.732	8	121.9005	27.205	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6]	4:4:4:3:	4:4:4:1:	4:3:1:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-3:	C[3,6]-4:C[3,5,6]-4:C[5]-4:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6a]O[6])(H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6a]O[6])(H){2|C<4>,3|H<1>,4|C<3>}	122.9630	0.000	1	122.9630	0.000	1	122.9630	0.000	1	124.2272	30.732	8	121.9005	27.205	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6]	4:4:4:3:	4:4:4:1:	4:3:1:	C[5,6,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[5,6,6]C[5,6]N[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H)	C[3,5](C[3,5,6]C[5,6,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5,6]HO)(H)	C[6](C[3,5,6]C[5,6,6]C[3,5]C[3])(C[6]C[6]H)(H)	C[3,5,6](C[5,6,6]C[5,6]N[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	C[3,5](C[3,5,6]C[5,6,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5,6]HO)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,5,6]C[5,6,6]C[3,5]C[3])(C[6]C[6]H)(H){1|N<3>,3|C<4>,5|H<1>}	134.2280	0.000	1	134.2280	0.000	1	134.2280	0.000	1	124.2272	30.732	8	121.9005	27.205	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6]	4:4:4:3:	4:4:4:1:	4:3:1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H){2|C<4>,6|H<1>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	120.9460	0.462	5	120.9460	0.213	5	120.9460	0.213	5	124.2272	30.732	8	121.9005	27.205	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6]	4:4:4:3:	4:4:4:1:	4:3:4:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[3,6]-4:C[5]-4:H-1:	C[3,5,6]-4:C[6]-3:C-4:	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HO)(H)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]H)(CH3)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C){1|O<2>,3|C<4>,4|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]H)(CH3){3|C<4>,6|H<1>}	120.2740	0.000	1	120.2740	0.000	1	120.2740	0.000	1	120.2740	0.000	1	121.9005	27.205	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[3,5,6]-4:C[6]-4:O-1:	C[3,5,6](C[5,6]C[5,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]O)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[5,6,6]HI)(O)	C[3,5,6](C[5,6]C[5,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|I<1>,2|C<4>,6|H<1>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[5,6,6]HI)(O){1|C<3>,3|H<1>,5|C<4>}	118.4300	0.000	1	118.4300	0.000	1	116.9295	4.503	2	116.9295	4.503	2	121.9005	27.205	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[3,5,6]-4:C[6]-4:O-1:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]O)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(O)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(O){4|H<1>,5|C<4>}	115.4290	0.000	1	115.4290	0.000	1	116.9295	4.503	2	116.9295	4.503	2	121.9005	27.205	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6]	4:4:4:3:	4:4:4:4:	4:3:1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-4:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HN)(CCHH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]C)(H)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HN)(CCHH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.0290	0.000	1	122.0290	0.000	1	122.0290	0.000	1	122.0290	0.000	1	121.9005	27.205	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5,6]-4:O[6]-2:O-1:	C[3,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[6]O[6]O)	C[3](C[3,5,6]C[5,5,6]C[3,5]C[6])(C[3,5]C[3,5,6]C[5,5]H)(H)2	C[6](C[3,5,6]C[5,5,6]C[3,5]C[3])(O[6]C[6])(O)	C[3,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[6]O[6]O){1|C<3>,3|C<4>,3|H<1>}	C[3](C[3,5,6]C[5,5,6]C[3,5]C[6])(C[3,5]C[3,5,6]C[5,5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,5,6]C[5,5,6]C[3,5]C[3])(O[6]C[6])(O){3|C<4>,6|H<1>}	119.7180	0.000	1	119.7180	0.000	1	119.7180	0.000	1	119.7180	0.000	1	119.1865	1.980	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[3,5,6]-4:Cl-1:Cl-1:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H)	C[3](C[3,5,6]C[3,5,6]C[5]C[6])2(Cl)2	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]C)(H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	C[3](C[3,5,6]C[3,5,6]C[5]C[6])2(Cl)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]C)(H){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.4840	0.000	1	119.4840	0.000	1	120.3795	1.604	2	119.5315	2.118	12	119.1865	1.980	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[3,5,6]-4:Cl-1:Cl-1:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H)	C[3](C[3,5,6]C[3,5,6]C[5]C[6])2(Cl)2	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]O)(H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>}	C[3](C[3,5,6]C[3,5,6]C[5]C[6])2(Cl)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]O)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	121.2750	0.000	1	121.2750	0.000	1	120.3795	1.604	2	119.5315	2.118	12	119.1865	1.980	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[3,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[3,5,6]C[6,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5]2H)(C[6]C[6]H)	C[3](C[3,5,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6]C[5]C[6])(H)2	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6,6]H)(H)	C[3,5,6](C[3,5,6]C[6,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[3](C[3,5,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6]C[5]C[6])(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	118.4700	0.000	1	118.4700	0.000	1	118.4700	0.000	1	119.5315	2.118	12	119.1865	1.980	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5,6]-4:C[6]-3:O-1:	C[3,5,6](C[3,5]C[3]C[5]C[6])(C[5,6]C[5]C[6]H)(C[3]C[3,5]HH)(C[6]C[6]O)	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C[6])(H)2	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O)	C[3,5,6](C[3,5]C[3]C[5]C[6])(C[5,6]C[5]C[6]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|O<1>,3|C<3>,5|H<1>}	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C[6])(H)2{1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	117.9790	0.000	1	117.9790	0.000	1	118.1430	0.054	2	119.5315	2.118	12	119.1865	1.980	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5,6]-4:C[6]-3:O-1:	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[6]O[5]H)(C[3]C[3,5]HH)(C[6]C[6]O)	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O)	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[6]O[5]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O){1|O<2>,3|C<4>,4|H<1>}	118.3070	0.000	1	118.3070	0.000	1	118.1430	0.054	2	119.5315	2.118	12	119.1865	1.980	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[3,5]-4:C[3,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H)	C[3](C[3,5]C[3,5,6]C[5,6a]C[6a])(C[3,5,6]C[3,5]C[5,6]C[6])(H)2	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(H)	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[3](C[3,5]C[3,5,6]C[5,6a]C[6a])(C[3,5,6]C[3,5]C[5,6]C[6])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(H){1|N<3>,3|C<3>,5|H<1>}	122.0190	0.000	1	122.0190	0.000	1	122.0190	0.000	1	119.5315	2.118	12	119.1865	1.980	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[5,6,6]C[5,6]N[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H)	C[3](C[3,5,6]C[5,6,6]C[3,5]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2	C[6](C[3,5,6]C[5,6,6]C[3,5]C[3])(C[6]C[6]H)(H)	C[3,5,6](C[5,6,6]C[5,6]N[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	C[3](C[3,5,6]C[5,6,6]C[3,5]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,5,6]C[5,6,6]C[3,5]C[3])(C[6]C[6]H)(H){1|N<3>,3|C<4>,5|H<1>}	116.8860	0.000	1	116.8860	0.000	1	116.8860	0.000	1	119.5315	2.118	12	119.1865	1.980	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H)	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H){2|C<4>,6|H<1>}	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	119.9916	0.493	5	119.9916	0.244	5	119.9916	0.244	5	119.5315	2.118	12	119.1865	1.980	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:O-1:	C[3,5,6](C[5,6]C[5,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]O)	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[5,6,6]HI)(O)	C[3,5,6](C[5,6]C[5,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|I<1>,2|C<4>,6|H<1>}	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[5,6,6]HI)(O){1|C<3>,3|H<1>,5|C<4>}	117.2870	0.000	1	117.2870	0.000	1	117.4890	0.082	2	117.4890	0.082	2	119.1865	1.980	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:O-1:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]O)	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(O)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(O){4|H<1>,5|C<4>}	117.6910	0.000	1	117.6910	0.000	1	117.4890	0.082	2	117.4890	0.082	2	119.1865	1.980	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[6]	4:4:4:3:	4:4:3:1:	4:3:1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[3,5,6]-4:C-3:F-1:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]CF)(C[5]C[5]HH)(C[6]C[6]H)	C[3](C[3,5,6]C[3,5,6]C[5]C[6])2(CNO)(F)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]H)(H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]CF)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,6|H<1>}	C[3](C[3,5,6]C[3,5,6]C[5]C[6])2(CNO)(F){1|C<4>,2|C<3>,6|H<1>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]H)(H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	118.5480	0.119	2	118.5480	0.014	2	118.5480	0.014	2	118.5480	0.014	2	119.1865	1.980	17	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[6]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,5,6]-4:C[3]-4:C[5]-3:C[6]-3:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[3,5]-4:C[6]-3:C[6]-3:	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]O)(C[6]C[6]2)	C[3,5,6](C[3,5]C[3]C[5]C[6])(C[5,6]C[5]C[6]H)(C[3]C[3,5]HH)(C[6]C[6]O)	C[6](C[3,5]C[3,5,6]C[3]C[5])(C[6]C[6]H)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]O)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[3,5,6](C[3,5]C[3]C[5]C[6])(C[5,6]C[5]C[6]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|O<1>,3|C<3>,5|H<1>}	C[6](C[3,5]C[3,5,6]C[3]C[5])(C[6]C[6]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	123.5300	0.000	1	123.5300	0.000	1	123.5300	0.000	1	123.5300	0.000	1	123.5300	0.000	1	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6]	4:4:3:3:	4:4:1:1:	4:3:3:	C[3,5,6]-4:C[3]-4:C[5]-3:C[6]-3:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6]-3:C[6]-3:	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]O)(C[6]C[6]2)	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C[6])(H)2	C[6](C[3,5]C[3,5,6]C[3]C[5])(C[6]C[6]H)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]O)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C[6])(H)2{1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[6](C[3,5]C[3,5,6]C[3]C[5])(C[6]C[6]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	123.2750	0.000	1	123.2750	0.000	1	123.2750	0.000	1	123.2750	0.000	1	123.2750	0.000	1	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3,3x6]	C[6]	4:4:4:3:	4:4:4:4:	4:4:1:	C[3,3x6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[3,6,6]-4:C[4x6]-4:C[3x6]-4:C[3]-4:	C[3,6,6]-4:C[6]-4:O-1:	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O)	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH)	C[6](C[3,6,6]C[3,3x6]C[6,6]C[3])(C[6]C[5,6]HH)(O)	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,3x6]C[6,6]C[3])(C[6]C[5,6]HH)(O){1|Br<1>,2|H<1>,6|C<4>}	116.8690	0.000	1	116.8690	0.000	1	116.8690	0.000	1	116.8690	0.000	1	116.8690	0.000	1	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3,6,6]	C[6]	4:4:4:3:	4:4:4:4:	4:3:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-3:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]H)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<4>}	120.3130	0.000	1	120.3130	0.000	1	120.3130	0.000	1	120.3130	0.000	1	120.3130	0.000	1	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6]	4:3:2:3:	4:4:2:3:	4:3:1:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[3,6,6]-4:N[6]-3:O-1:	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	C[6](C[3,6,6]C[3,6]N[6,6]O[3])(N[6]C[6]C)(O)	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[3,6,6]C[3,6]N[6,6]O[3])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	122.4580	0.000	1	121.0030	2.603	3	121.0030	2.603	3	121.0030	2.603	3	119.9694	4.372	12	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6]	4:3:2:3:	4:4:2:3:	4:3:1:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[3,6,6]-4:N[6]-3:O-1:	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	C[6](C[3,6,6]C[3,6]N[6,6]O[3])(N[6]C[6]C)(O)	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[3,6,6]C[3,6]N[6,6]O[3])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	120.2755	1.425	2	121.0030	2.603	3	121.0030	2.603	3	121.0030	2.603	3	119.9694	4.372	12	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6]	4:3:4:3:	4:3:4:1:	4:2:1:	C[3,6]-4:N[3,6]-3:C[6]-4:C[6]-3:	C[3,6,6]-4:N[3,6]-3:C[6]-4:H-1:	C[3,6,6]-4:O[6]-2:O-1:	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	C[3,6](C[3,6,6]N[3,6]C[6]2)(N[3,6]C[3,6,6]C[6])(C[6]O[6]HH)(H)	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(O[6]C[6])(O)	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[3,6,6]N[3,6]C[6]2)(N[3,6]C[3,6,6]C[6])(C[6]O[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(O[6]C[6])(O){3|C<4>,5|H<1>}	118.7250	0.000	1	118.7250	0.000	1	118.7250	0.000	1	118.7250	0.000	1	119.9694	4.372	12	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6]	4:4:2:3:	4:2:3:1:	4:3:4:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6]-4:C[6]-3:C-4:	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(CH3)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	121.7620	0.157	3	121.7620	0.025	3	121.7620	0.025	3	121.7620	0.025	3	119.9694	4.372	12	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6]	4:4:2:3:	4:2:3:1:	4:4:3:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6]-4:C[6]-4:C-3:	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]2H)(CHH)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]2H)(CHH){2|C<3>,3|H<1>,5|C<4>}	122.0780	0.000	1	122.0780	0.000	1	122.0780	0.000	1	122.0780	0.000	1	119.9694	4.372	12	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6]	4:4:2:3:	4:2:3:4:	4:4:1:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6,6]-4:C[6]-4:O-1:	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(O)	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	118.0900	0.000	1	118.0900	0.000	1	118.0900	0.000	1	118.0900	0.000	1	119.9694	4.372	12	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6]	4:4:3:2:	4:4:2:1:	4:4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:O-1:	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])	C[3,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(O)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6]){1|O<2>,3|H<1>,5|C<4>}	C[3,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(O){1|O<2>,2|H<1>,3|C<4>}	118.6080	0.000	1	118.6080	0.000	1	118.6080	0.000	1	118.6080	0.000	1	119.9694	4.372	12	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6]	4:4:4:3:	4:4:3:4:	4:3:1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-3:	C[3,6,6]-4:C[3,6]-4:C[5a]-3:C[6]-4:	C[3,6,6]-4:C[6]-3:H-1:	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH)	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]H)(H)	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,7|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH){1|C<4>,2|S<4>,4|C<3>,6|H<1>}	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	116.9185	0.019	2	116.9185	0.000	2	116.9185	0.000	2	116.9185	0.000	2	119.9694	4.372	12	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6,6]	3:4:4:2:	4:2:1:1:	4:4:1:	C[6,6]-3:C[3x6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[5,4x6]-4:C[3,6,6]-4:O-1:	C[3,6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(O)	C[3,6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(O){1|C<3>,4|C<4>,6|H<1>}	118.5150	0.518	2	118.5150	0.268	2	118.5150	0.268	2	118.5150	0.268	2	119.0159	2.901	14	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6,6]	4:3:4:2:	4:2:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O)	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O){1|C<4>,2|C<3>,5|H<1>}	120.5180	0.044	2	120.3293	0.108	3	120.1148	1.970	6	119.9530	1.305	9	119.0159	2.901	14	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6,6]	4:3:4:2:	4:2:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O)	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O){2|C<3>,2|C<4>,4|H<1>}	119.9520	0.000	1	120.3293	0.108	3	120.1148	1.970	6	119.9530	1.305	9	119.0159	2.901	14	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6,6]	4:3:4:2:	4:2:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O)	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|N<3>,1|O<1>,3|C<4>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	118.2900	0.000	1	118.6710	0.290	2	120.1148	1.970	6	119.9530	1.305	9	119.0159	2.901	14	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6,6]	4:3:4:2:	4:2:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O)	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.0520	0.000	1	118.6710	0.290	2	120.1148	1.970	6	119.9530	1.305	9	119.0159	2.901	14	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6,6]	4:3:4:2:	4:2:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3,6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]H)(O)	C[3,6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]H)(O){1|C<3>,1|N<3>,4|H<1>}	122.3590	0.000	1	122.3590	0.000	1	120.1148	1.970	6	119.9530	1.305	9	119.0159	2.901	14	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6,6]	4:3:4:2:	4:2:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6]-4:C[4x6]-4:O-1:	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[4x6]C[3x6]C[6,6]C[6])(O)	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[4x6]C[3x6]C[6,6]C[6])(O){1|C<3>,3|C<4>,7|H<1>}	119.9080	0.000	1	119.6293	0.059	3	119.6293	0.059	3	119.9530	1.305	9	119.0159	2.901	14	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6,6]	4:3:4:2:	4:2:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6]-4:C[4x6]-4:O-1:	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[4x6]C[3x6]C[6,6]C[6])(O)	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[4x6]C[3x6]C[6,6]C[6])(O){2|C<4>,3|C<3>,6|H<1>}	119.4900	0.045	2	119.6293	0.059	3	119.6293	0.059	3	119.9530	1.305	9	119.0159	2.901	14	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6,6]	4:3:4:4:	4:4:1:1:	4:4:3:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H){6|C<4>,8|H<1>}	116.1920	0.000	1	116.1920	0.000	1	116.4825	0.169	2	116.4825	0.169	2	119.0159	2.901	14	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6,6]	4:3:4:4:	4:4:1:1:	4:4:3:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO){6|C<4>,6|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	116.7730	0.000	1	116.7730	0.000	1	116.4825	0.169	2	116.4825	0.169	2	119.0159	2.901	14	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6,6]	4:4:4:3:	4:4:1:1:	4:4:3:	C[6,6]-4:C[3,6]-4:C[3]-4:C[6,6]-3:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-3:	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2)	C[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)(H)2	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[6]CC)(C[6]C[6]O)	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	116.6510	0.000	1	116.6510	0.000	1	116.6510	0.000	1	116.6510	0.000	1	119.0159	2.901	14	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6]	3:4:4:3:	4:3:4:1:	4:3:1:	N[3,6]-3:C[3]-4:C[6,6]-4:C[6]-3:	C[3,6,6]-4:N[3,6]-3:C-4:H-1:	C[3,6,6]-4:C[6]-3:H-1:	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H)	C[3](C[3,6,6]C[6,6]N[3,6]C[6])(N[3,6]C[3,6,6]Si[6])(CCCH)(H)	C[6](C[3,6,6]C[6,6]N[3,6]C[3])(C[6]C[6]H)(H)	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3](C[3,6,6]C[6,6]N[3,6]C[6])(N[3,6]C[3,6,6]Si[6])(CCCH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[3,6,6]C[6,6]N[3,6]C[3])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	119.4700	0.000	1	119.4700	0.000	1	119.4700	0.000	1	119.4700	0.000	1	116.3690	7.497	5	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-3:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-3:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]H)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,5|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<4>}	118.2210	0.000	1	118.2210	0.000	1	118.2210	0.000	1	115.2825	17.270	2	116.3690	7.497	5	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:	C[3,6,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-3:O-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2)(H)2	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6,6]H)(O)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2)(H)2{1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6,6]H)(O){4|C<4>,4|H<1>}	112.3440	0.000	1	112.3440	0.000	1	112.3440	0.000	1	115.2825	17.270	2	116.3690	7.497	5	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:	C[3,3x6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[3,3x6]-4:C[3,6,6]-4:Br-1:H-1:	C[3,6,6]-4:C[6]-4:O-1:	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O)	C[3](C[3,3x6]C[3,6,6]C[3x6]C[4x6])(C[3,6,6]C[3,3x6]C[6,6]C[6])(Br)(H)	C[6](C[3,6,6]C[3,3x6]C[6,6]C[3])(C[6]C[5,6]HH)(O)	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	C[3](C[3,3x6]C[3,6,6]C[3x6]C[4x6])(C[3,6,6]C[3,3x6]C[6,6]C[6])(Br)(H){1|O<1>,2|H<1>,2|O<2>,6|C<4>}	C[6](C[3,6,6]C[3,3x6]C[6,6]C[3])(C[6]C[5,6]HH)(O){1|Br<1>,2|H<1>,6|C<4>}	116.3000	0.000	1	116.3000	0.000	1	116.3000	0.000	1	115.9050	0.312	2	116.3690	7.497	5	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HO)(O)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O){1|O<2>,4|H<1>,8|C<4>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|O<1>,3|H<1>,7|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HO)(O){4|H<1>,5|C<4>}	115.5100	0.000	1	115.5100	0.000	1	115.5100	0.000	1	115.9050	0.312	2	116.3690	7.497	5	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:4:3:1:	4:4:4:4:	4:2:1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6,6]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,5,6,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]O[6]O)(H)	C[3,5,6](C[3,5,6,6]C[3,6]C[6,6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[5]HO)(C[6]C[6]CC)	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(O[6]C[6,6])(O)	C[3,6](C[3,5,6,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]O[6]O)(H){1|O<2>,4|H<1>,6|C<4>}	C[3,5,6](C[3,5,6,6]C[3,6]C[6,6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[5]HO)(C[6]C[6]CC){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(O[6]C[6,6])(O){1|H<1>,5|C<4>}	123.0510	0.000	1	123.0510	0.000	1	123.0510	0.000	1	123.0510	0.000	1	123.0510	0.000	1	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6]	4:3:4:3:	4:3:4:1:	4:2:2:	C[3,5]-4:C[6,6a]-3:C[3,5]-4:C[6]-3:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,6]-4:O[6]-2:N-2:	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N)	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]C[5]H)(H)	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS)	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N){1|C<4>,3|H<1>,4|C<3>}	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]C[5]H)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS){1|C<4>,3|C<3>,4|H<1>}	116.0895	1.500	2	116.0895	2.249	2	116.0895	2.249	2	116.0895	2.249	2	116.3326	26.282	21	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6]	4:3:4:3:	4:4:4:1:	4:2:2:	C[3,5]-4:C[6,6a]-3:C[3,5]-4:C[6]-3:	C[3,6]-4:C[3,5]-4:C[5]-4:H-1:	C[3,6]-4:O[6]-2:N-2:	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N)	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[3,5]C[5,6a]C[3,6]H)(C[5]C[5,6a]HH)(H)	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS)	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N){1|C<4>,3|H<1>,4|C<3>}	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[3,5]C[5,6a]C[3,6]H)(C[5]C[5,6a]HH)(H){1|N<2>,1|O<2>,4|C<3>}	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS){1|C<4>,3|C<3>,4|H<1>}	107.2710	2.225	2	107.2710	4.949	2	107.2710	4.949	2	107.2710	4.949	2	116.3326	26.282	21	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6]	4:4:3:1:	4:4:2:1:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,6]-4:O[5]-2:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5,6]C[3,5]C[5,6]C)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H)	C[3,5](C[3,5,6]C[3,6]C[5,6]C)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]C)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]C)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	123.0770	0.000	1	123.0770	0.000	1	123.1405	0.008	2	123.1405	0.008	2	116.3326	26.282	21	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6]	4:4:3:1:	4:4:2:1:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,6]-4:O[5]-2:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]C)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	123.2040	0.000	1	123.2040	0.000	1	123.1405	0.008	2	123.1405	0.008	2	116.3326	26.282	21	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6]	4:4:3:1:	4:4:3:3:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:C-3:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O)(COO)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]Br)(O)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O)(COO){1|C<4>,1|O<1>,2|C<3>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]Br)(O){1|C<4>,2|C<3>,2|H<1>}	123.7430	0.000	1	123.7430	0.000	1	123.7430	0.000	1	123.7430	0.000	1	116.3326	26.282	21	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6]	4:4:3:1:	4:4:3:4:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:Si-4:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5,6]C[3,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]Si)(C[6]C[6]H)(H)	C[3,5](C[3,5,6]C[3,5,6]C[3,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(SiC3)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[3,6]H)(H)	C[3,6](C[3,5,6]C[3,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]Si)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[3,5,6]C[3,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(SiC3){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[3,6]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	120.8550	0.320	2	120.8550	0.102	2	120.8550	0.102	2	120.8550	0.102	2	116.3326	26.282	21	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6]	4:4:3:1:	4:4:4:3:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-3:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CHO)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(O)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H){1|N<3>,2|C<3>,3|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CHO){1|O<1>,1|S<4>,3|C<3>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	122.0840	0.000	1	122.0840	0.000	1	122.0840	0.000	1	122.0840	0.000	1	116.3326	26.282	21	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6]	4:4:3:1:	4:4:4:4:	4:3:4:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-4:	C[3,6]-4:C[6]-3:C-4:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]C)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HN)(CCHH)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(CH3)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HN)(CCHH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>}	120.1260	0.000	1	120.1260	0.000	1	120.1260	0.000	1	120.1260	0.000	1	116.3326	26.282	21	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6]	4:4:3:3:	3:4:4:3:	4:3:1:	C[3,5]-4:C[3]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6]C[6]H)2	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O)	C[6](C[3,6]C[3,5]C[3]C[6])(C[6]C[6]C)(H)	C[3,6](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6]C[6]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[3,6]C[3,5]C[3]C[6])(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	117.8220	3.960	2	117.8220	15.680	2	117.8220	15.680	2	117.8220	15.680	2	116.3326	26.282	21	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6]	4:4:3:3:	4:4:3:1:	4:2:1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,5,6]-4:C[3,6]-4:N[5]-3:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H)	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O)	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,4|H<1>,5|C<3>}	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.4105	1.019	2	115.4105	1.038	2	115.4105	1.038	2	115.4105	1.038	2	116.3326	26.282	21	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,5,6]-4:C[5]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]O)(H)	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	112.8640	0.000	1	112.8640	0.000	1	112.8640	0.000	1	112.8640	0.000	1	116.3326	26.282	21	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6]	4:4:3:3:	4:4:4:1:	4:2:1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,5,6]-4:C[5]-4:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,3|C<3>,7|H<1>}	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,4|C<3>}	112.0380	0.000	1	112.0380	0.000	1	112.0380	0.000	1	112.0380	0.000	1	116.3326	26.282	21	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6]	4:4:3:3:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,5,6]-4:C[3,5]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[3,5]C[3,5]C[3]O)(H)	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[3,5]C[3,5]C[3]O)(H){2|C<4>,3|C<3>,7|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	113.0950	1.534	2	113.0950	2.354	2	113.0950	2.354	2	113.0950	2.354	2	116.3326	26.282	21	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6]	4:4:4:3:	4:4:3:1:	4:4:1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-3:	C[3,5]-4:C[3,6]-4:C[5]-3:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,5]C[3,5]C[5]H)2(C[6]C[6]HH)(C[6]C[6]O)	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]O)(H)	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(O)	C[3,6](C[3,5]C[3,5]C[5]H)2(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,6|H<1>}	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,6|H<1>}	110.1300	0.000	1	110.1300	0.000	1	110.1300	0.000	1	110.1300	0.000	1	116.3326	26.282	21	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-3:	C[3,5]-4:C[3,6]-4:C[5]-4:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,5]C[3,5]C[5]H)2(C[6]C[6]HH)(C[6]C[6]O)	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]HH)(H)	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(O)	C[3,6](C[3,5]C[3,5]C[5]H)2(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,6|H<1>}	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,6|H<1>}	114.6320	0.000	1	114.6320	0.000	1	114.6320	0.000	1	114.6320	0.000	1	116.3326	26.282	21	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.6465	0.135	2	116.6465	0.018	2	118.8132	1.121	25	118.8132	1.121	25	118.8445	3.306	36	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H){2|H<1>,4|C<3>}	120.9340	0.024	2	119.3139	0.988	14	118.8132	1.121	25	118.8132	1.121	25	118.8445	3.306	36	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.0439	0.782	12	119.3139	0.988	14	118.8132	1.121	25	118.8132	1.121	25	118.8445	3.306	36	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.5157	0.204	9	118.5157	0.042	9	118.8132	1.121	25	118.8132	1.121	25	118.8445	3.306	36	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	4:4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(O)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	119.2010	1.643	2	119.2010	2.700	2	119.2010	2.700	2	119.2010	2.700	2	118.8445	3.306	36	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:4:	4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.2980	0.000	1	119.2980	0.000	1	119.2980	0.000	1	119.2980	0.000	1	118.8445	3.306	36	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:4:1:	4:2:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]O[6]O)(H)	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]O[6]O)(H){1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(O[6]C[6])(O){2|C<4>,4|H<1>}	121.8290	0.000	1	121.8290	0.000	1	121.8290	0.000	1	121.8290	0.000	1	118.8445	3.306	36	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:O-1:	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6,6]O)(H)	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6,6]C[6,6]C[6]H)(O)	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6,6]O)(H){1|O<2>,4|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6,6]C[6,6]C[6]H)(O){4|H<1>,5|C<4>}	121.9750	0.000	1	121.9750	0.000	1	121.9750	0.000	1	121.9750	0.000	1	118.8445	3.306	36	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[5,6]HH)(CH3)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H){1|O<1>,4|C<4>}	121.2000	0.000	1	121.2000	0.000	1	121.2000	0.000	1	121.2000	0.000	1	118.8445	3.306	36	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3,6]-4:C[3,6,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6,6]-4:C[6,6a]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]C[6,6]S)(H)	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]C[6,6]S)(H){1|C<4>,3|H<1>,4|C<3>}	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1	118.8445	3.306	36	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:4:4:1:	4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]O[6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]O[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.8430	0.000	1	113.8430	0.000	1	113.8430	0.000	1	113.8430	0.000	1	118.8445	3.306	36	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:4:	4:4:3:1:	4:4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[6]C[6]HH)(O)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	113.5900	0.000	1	113.5900	0.000	1	113.5900	0.000	1	113.5900	0.000	1	118.8445	3.306	36	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:4:	4:4:4:1:	4:4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:S-4:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]S)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]S)(C[6]C[6]HH)(O)	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]S)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]S)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	121.3550	0.000	1	121.3550	0.000	1	121.3550	0.000	1	121.3550	0.000	1	118.8445	3.306	36	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:C[6]-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(C[6]C[6]2)	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]N[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(C[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]H)2{1|C<2>,2|C<4>,7|H<1>}	117.3290	0.000	1	117.3290	0.000	1	117.3290	0.000	1	117.3290	0.000	1	118.8445	3.306	36	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6]	3:3:4:2:	4:2:1:1:	4:3:2:	C[6,6a]-3:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[6,6]-3:O[6]-2:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6]C[6,6a]C[6,6]O[3])(O[3]C[3,6])(H)2	C[6,6](C[3,6]C[6,6a]C[3]O[3])(C[6,6]C[6]2)(O[6]C[6])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3]){1|H<1>,2|C<4>,3|C<3>}	C[3](C[3,6]C[6,6a]C[6,6]O[3])(O[3]C[3,6])(H)2{1|O<2>,3|C<3>}	C[6,6](C[3,6]C[6,6a]C[3]O[3])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	117.5690	0.000	1	117.5690	0.000	1	117.5690	0.000	1	117.5690	0.000	1	120.2002	15.129	4	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6]	3:4:4:3:	4:4:4:1:	4:3:4:	C[6,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6,6]-3:C[6]-4:	C[3,6](C[6,6]C[6,6]C[6])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6a]C[6a]2)	C[3](C[3,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6]C[6]H)(CH3)(H)	C[6,6](C[3,6]C[3,6]C[6a]C[3])(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[3,6](C[6,6]C[6,6]C[6])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3](C[3,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[3,6]C[3,6]C[6a]C[3])(C[6,6]C[6]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	116.1720	0.000	1	116.1720	0.000	1	116.1720	0.000	1	116.1720	0.000	1	120.2002	15.129	4	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[3,6]-4:C[6,6]-3:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-3:	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6])(C[3]C[3,6]HH)(H)	C[3](C[3,6]C[3,6]C[6,6]H)2(H)2	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6])(C[3]C[3,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6,6]H)2(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,6|H<1>}	123.5300	0.247	2	123.5300	0.061	2	123.5300	0.061	2	123.5300	0.061	2	120.2002	15.129	4	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	2:4:4:3:	4:4:1:1:	4:3:4:	O[6]-2:C[3]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:	C[3,6](O[6]C[6,6a])(C[3]C[3]HH)2(C[6]C[6]C)	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH)	C[3,6](O[6]C[6,6a])(C[3]C[3]HH)2(C[6]C[6]C){1|C<4>,2|C<3>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH){2|C<3>,4|H<1>}	123.5015	2.398	2	123.5015	5.749	2	123.5015	5.749	2	123.5015	5.749	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[6]-3:C[6]-3:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[6]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6]C[4,5,6]O)(C[6]C[6a]C[6])(C[3]C[3]HH)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2	C[6](C[6]C[4,5,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]2)	C[3,6](C[6]C[4,5,6]O)(C[6]C[6a]C[6])(C[3]C[3]HH)2{1|O<2>,2|C<4>,3|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[4,5,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,5|C<3>,6|H<1>}	119.9675	0.057	2	119.9675	0.003	2	119.9675	0.003	2	119.9675	0.003	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:N[6,6]-3:O-1:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[3]C[3]HH)2	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(H)2	C[6](C[3,6]C[6,6a]C[3]2)(N[6,6]C[6,6]C[6])(O)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[3]C[3]HH)2{1|C<4>,1|H<1>,3|C<3>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[3,6]C[6,6a]C[3]2)(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	113.9990	0.014	2	113.9990	0.000	2	113.9990	0.000	2	113.9990	0.000	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:	C[6]-3:C[6]-3:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[4,5,6]-4:C[3,6]-4:O-1:	C[3,6](C[6]C[4,5,6]O)(C[6]C[6a]C[6])(C[3]C[3]HH)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[3,6]C[3]2C[6])(O)	C[3,6](C[6]C[4,5,6]O)(C[6]C[6a]C[6])(C[3]C[3]HH)2{1|O<2>,2|C<4>,3|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[3,6]C[3]2C[6])(O){1|C<4>,4|C<3>,6|H<1>}	113.1685	1.040	2	113.1685	1.082	2	113.1685	1.082	2	113.1685	1.082	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	3:4:3:2:	4:2:1:1:	4:3:1:	C[6]-3:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[5,6]-3:H-1:	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5,6]C[5])(H)	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5,6]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.0240	0.000	1	119.0240	0.000	1	119.0240	0.000	1	117.5440	4.381	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	3:4:3:2:	4:2:1:1:	4:3:1:	C[6]-3:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5,6]H)(O)	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5,6]H)(O){1|C<3>,1|N<3>,3|H<1>}	116.0640	0.000	1	116.0640	0.000	1	116.0640	0.000	1	117.5440	4.381	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	3:4:4:2:	4:2:4:1:	3:4:1:	C[6]-3:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:H-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6](C[6]C[6,6a]O)(C[3]O[3]CH)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O)	C[3,6](C[6]C[6,6a]O)(C[3]O[3]CH)(C[6]C[6]HH)(O[3]C[3]){2|C<3>,2|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O){2|C<3>,2|C<4>,4|H<1>}	115.9400	0.000	1	115.9400	0.000	1	115.9400	0.000	1	115.9400	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	3:4:4:3:	4:4:1:1:	4:2:2:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:O[6]-2:N-2:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(H)2	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(H)2{1|N<2>,1|O<2>,4|C<3>}	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS){3|C<3>,5|H<1>}	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	3:4:4:3:	4:4:1:1:	4:4:1:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[6,6a]C[5,6,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]O)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CC)(H)2	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[5,6]HH)(O)	C[3,6](C[6,6a]C[5,6,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[5,6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	116.1030	0.000	1	116.1030	0.000	1	116.1030	0.000	1	116.1030	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	3:4:4:3:	4:4:3:1:	4:2:2:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:O[6]-2:N-2:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS){3|C<3>,5|H<1>}	112.5950	0.000	1	112.5950	0.000	1	112.5950	0.000	1	112.5950	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	3:4:4:3:	4:4:3:1:	4:3:1:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[3]-4:C-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(COO)(H)	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]H)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H){2|H<1>,5|C<3>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(COO)(H){1|H<1>,5|C<3>}	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	111.6400	1.252	2	111.6400	1.566	2	111.6400	1.566	2	114.8278	14.084	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	3:4:4:3:	4:4:3:1:	4:3:1:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]H)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H){2|H<1>,5|C<3>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	118.0155	0.193	2	118.0155	0.037	2	118.0155	0.037	2	114.8278	14.084	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	3:4:4:3:	4:4:4:4:	4:4:1:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[6,6a]C[5,6,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]O)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(CClHH)(CH3)	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[5,6]HH)(O)	C[3,6](C[6,6a]C[5,6,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(CClHH)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[5,6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	116.4350	0.000	1	116.4350	0.000	1	116.4350	0.000	1	116.4350	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	3:4:4:4:	4:4:1:1:	3:4:1:	C[6]-3:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6](C[6]C[6,6a]O)(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HO)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O)	C[3,6](C[6]C[6,6a]O)(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HO){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	3:4:4:4:	4:4:4:1:	3:4:1:	C[6]-3:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3]-4:C-4:H-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6](C[6]C[6,6a]O)(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HO)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O)	C[3,6](C[6]C[6,6a]O)(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HO){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	118.8830	0.000	1	118.8830	0.000	1	118.8830	0.000	1	118.8830	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:2:3:2:	4:2:1:1:	4:3:1:	C[3]-4:N[6]-2:C[6]-3:H[3]-2:	C[3,6]-4:H[3]-2:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]H[3]HH)(N[6]C[5,6])(C[6]C[6]H)(H[3]C[3])	C[3](C[3,6]C[6]H[3]N[6])(H[3]C[3,6])(H)2	C[6](C[3,6]C[3]H[3]N[6])(C[6]N[5,6]C)(H)	C[3,6](C[3]H[3]HH)(N[6]C[5,6])(C[6]C[6]H)(H[3]C[3]){1|C<4>,2|N<3>}	C[3](C[3,6]C[6]H[3]N[6])(H[3]C[3,6])(H)2{1|H<1>,2|C<3>}	C[6](C[3,6]C[3]H[3]N[6])(C[6]N[5,6]C)(H){1|C<3>,1|N<2>,2|H<1>}	118.6080	0.000	1	118.6080	0.000	1	118.6080	0.000	1	118.6080	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:3:2:2:	4:2:4:1:	4:3:1:	C[3]-4:C[6]-3:O[3]-2:O[6]-2:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6])	C[3](C[3,6]C[6]O[3]O[6])(O[3]C[3,6])(CH3)(H)	C[6](C[3,6]C[3]O[3]O[6])(N[6]C[6]C)(O)	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	C[3](C[3,6]C[6]O[3]O[6])(O[3]C[3,6])(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3]O[3]O[6])(N[6]C[6]C)(O){2|H<1>,3|C<4>}	120.1190	0.000	1	120.1190	0.000	1	120.1190	0.000	1	120.1190	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:3:3:2:	4:3:2:1:	4:3:1:	C[3]-4:C[6]-3:N[6]-3:O[3]-2:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3])	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[6](C[3,6]C[3]N[6]O[3])(N[6]C[3,6]C)(O)	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3]){1|O<1>,2|C<3>,2|C<4>}	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[3,6]C[3]N[6]O[3])(N[6]C[3,6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.5053	0.272	3	121.5053	0.074	3	121.5053	0.074	3	121.5053	0.074	3	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:3:3:2:	4:4:2:1:	4:3:1:	C[3]-4:C[6]-3:C[6]-3:O[3]-2:	C[3,6]-4:C[5]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(C[5]C[5]O[5]C)(O[3]C[3,6])(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]H)(H)	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3](C[3,6]C[6]2O[3])(C[5]C[5]O[5]C)(O[3]C[3,6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:3:3:2:	4:4:2:1:	4:4:3:	C[3]-4:C[6]-3:C[6]-3:O[3]-2:	C[3,6]-4:C[5]-4:O[3]-2:H-1:	C[3,6]-4:C-4:C[6]-3:	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(C[5]C[5]O[5]C)(O[3]C[3,6])(H)	C[6](C[3,6]C[3]C[6]O[3])(CC[5,6]HH)(C[6]C[6]H)	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3](C[3,6]C[6]2O[3])(C[5]C[5]O[5]C)(O[3]C[3,6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(CC[5,6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.5410	0.000	1	122.5410	0.000	1	122.5410	0.000	1	122.5410	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:3:3:3:	4:3:1:1:	4:3:1:	C[3]-4:C[3]-3:C[6]-3:C[6]-3:	C[3,6]-4:C[3]-3:H-1:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3]C[3]HH)(C[3]C[3]H)(C[6]C[6]C)(C[6]N[6]O)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]H)(H)2	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O)	C[3,6](C[3]C[3]HH)(C[3]C[3]H)(C[6]C[6]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]H)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O){4|C<3>,5|H<1>}	113.1720	0.000	1	113.1720	0.000	1	113.1720	0.000	1	113.1720	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:3:3:3:	4:3:1:1:	4:3:3:	C[3]-4:C[3]-3:C[6]-3:C[6]-3:	C[3,6]-4:C[3]-3:H-1:H-1:	C[3,6]-4:C[6]-3:C-3:	C[3,6](C[3]C[3]HH)(C[3]C[3]H)(C[6]C[6]C)(C[6]N[6]O)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]H)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(CHH)	C[3,6](C[3]C[3]HH)(C[3]C[3]H)(C[6]C[6]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]H)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(CHH){1|N<3>,1|O<1>,5|H<1>}	118.3140	0.000	1	118.3140	0.000	1	118.3140	0.000	1	118.3140	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:3:4:1:	4:4:4:3:	4:3:2:	C[3,6]-4:C[6]-3:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-3:	C[3,6]-4:C[6a]-3:N[6]-2:	C[3,6](C[3,6]C[3]N[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(H)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]N[6]H)(CF3)(COO)	C[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(N[6]C[6])	C[3,6](C[3,6]C[3]N[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(H){1|C<4>,3|C<3>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]N[6]H)(CF3)(COO){1|C<4>,1|N<2>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	122.3235	0.547	2	122.3235	0.299	2	122.3235	0.299	2	122.3235	0.299	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:3:4:2:	4:3:3:2:	3:4:1:	C[3]-4:C[6]-3:C[6]-4:O[3]-2:	C[3,6]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O)	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3]){1|N<2>,5|C<3>}	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6]){1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O){1|O<2>,3|H<1>,4|C<3>}	119.5440	0.000	1	119.5440	0.000	1	119.5440	0.000	1	119.5440	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:3:4:3:	4:4:4:3:	4:3:2:	C[3,6]-4:C[6]-3:C[3]-4:C-3:	C[3,6]-4:C[3,6]-4:C-4:C-3:	C[3,6]-4:C[6a]-3:N[6]-2:	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(CC[6a]O)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CCHH)(COO)	C[6](C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)(N[6]C[6])	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(CC[6a]O){1|H<1>,3|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CCHH)(COO){1|H<1>,1|N<2>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	117.6570	0.000	1	117.6570	0.000	1	117.6570	0.000	1	117.6570	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:3:4:4:	4:4:1:1:	3:4:1:	C[3]-4:C[6]-3:C[3]-4:C[6]-4:	C[3]-4:C[3,6]-4:Br-1:Br-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(Br)2	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(Br)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O){2|Br<1>,1|C<4>,3|C<3>,4|H<1>}	116.2560	0.000	1	116.2560	0.000	1	116.2560	0.000	1	116.2560	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:3:4:4:	4:4:3:1:	3:4:1:	C[3]-4:C[6]-3:C[3]-4:C[6]-4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O){2|Br<1>,1|C<4>,3|C<3>,4|H<1>}	116.3150	0.000	1	116.3150	0.000	1	116.3150	0.000	1	116.3150	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:2:3:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:O[6]-2:C[6]-3:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H)	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]C[6a]H)(H)2	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6]H)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]C[6a]H)(H)2{1|H<1>,4|C<3>}	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6]H)(H){3|C<3>,3|H<1>}	122.8140	0.000	1	122.8140	0.000	1	122.8140	0.000	1	122.8140	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:2:3:	4:4:3:1:	4:3:1:	C[3]-4:C[3]-4:O[6]-2:C[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H)	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6]H)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){3|H<1>,4|C<3>}	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6]H)(H){3|C<3>,3|H<1>}	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:3:4:1:	3:4:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[6a]-3:C[3,6]-4:H-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H){1|O<1>,6|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H){1|H<1>,2|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O){2|H<1>,5|C<3>}	116.9170	0.000	1	116.9170	0.000	1	116.9170	0.000	1	116.9170	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:1:1:	4:2:1:	C[3,3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,3,6]C[3,6]C[3]2)(C[3]C[3,3,6]HH)(C[6]O[6]O)(H)	C[3](C[3,3,6]C[3,6]2C[3])(C[3,6]C[3,3,6]C[6]H)(H)2	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(O)	C[3,6](C[3,3,6]C[3,6]C[3]2)(C[3]C[3,3,6]HH)(C[6]O[6]O)(H){1|C<4>,3|H<1>}	C[3](C[3,3,6]C[3,6]2C[3])(C[3,6]C[3,3,6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(O){2|C<4>,4|H<1>}	118.7125	0.858	2	118.7125	0.736	2	118.7125	0.736	2	118.7125	0.736	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:1:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(C[6]C[6]O)(H)	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]H)(O)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]H)(O){1|C<3>,1|C<4>,3|H<1>}	118.1410	0.000	1	118.1410	0.000	1	118.1410	0.000	1	118.1410	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:1:1:	4:4:1:	C[3,5,6]-4:C[3]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[6]C[6]O)(H)	C[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)(H)2	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	120.2030	0.000	1	120.2030	0.000	1	120.2030	0.000	1	118.3658	2.974	5	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:1:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:I-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(I)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]I)(H)2	C[6](C[3,6]C[3,6]C[3]I)(C[6]C[6]CC)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(I){1|C<3>,2|C<4>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]I)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]I)(C[6]C[6]CC)(O){1|C<4>,5|H<1>}	117.9065	1.600	4	117.9065	2.560	4	117.9065	2.560	4	118.3658	2.974	5	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:1:1:	4:4:3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]C)(H)	C[3](C[3,6]C[3,6]C[6]H)2(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]CH)(CCC)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]CH)(CCC){1|C<4>,3|H<1>}	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:2:2:	4:3:4:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:O-2:O-2:	C[3,6]-4:C[6]-3:C-4:	C[3,6](C[3,6]C[5,6]C[3]H)(C[3]C[3,6]OO)(C[6]C[6]C)(H)	C[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(OC)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]H)(CH3)	C[3,6](C[3,6]C[5,6]C[3]H)(C[3]C[3,6]OO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(OC)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.2410	0.000	1	121.2410	0.000	1	121.2410	0.000	1	121.2410	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:1:	4:2:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:B[5]-3:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]B[5]H)(C[6]O[6]O)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(B[5]O[5]2)(H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(O)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]B[5]H)(C[6]O[6]O)(H){2|C<3>,2|O<2>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(B[5]O[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(O){1|B<3>,2|C<3>,2|H<1>}	120.7500	0.000	1	120.7500	0.000	1	120.7500	0.000	1	120.5485	0.668	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:1:	4:2:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:N[6]-2:Cl-1:	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]Cl)(H)	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)(COO)(H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]N[5a,6])(Cl)	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]Cl)(H){1|N<2>,1|N<3>}	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)(COO)(H){1|Cl<1>,1|N<3>,2|N<2>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]N[5a,6])(Cl){2|H<1>,3|C<3>}	121.0480	0.156	2	121.0480	0.024	2	121.0480	0.024	2	120.5485	0.668	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:1:	4:2:1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]O[6]O)(H)	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(O)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(O){1|C<3>,1|C<4>,4|H<1>}	119.3480	0.000	1	119.3480	0.000	1	119.3480	0.000	1	120.5485	0.668	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	C[3](C[3,6]C[3,6]C[6]H)2(CCH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|N<3>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(CCH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	118.3400	0.000	1	118.3400	0.000	1	117.7696	0.857	5	118.5556	3.618	8	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	C[3](C[3,6]C[3,6]C[6]H)2(COO)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H){2|C<3>,3|H<1>}	117.8910	0.000	1	117.8910	0.000	1	117.7696	0.857	5	118.5556	3.618	8	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(COO)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(COO)(H){1|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H){2|H<1>,3|C<3>}	117.5390	1.210	3	117.5390	1.464	3	117.7696	0.857	5	118.5556	3.618	8	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3]-4:C[3,6]-4:C[6]-3:F-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-3:F-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]F)(F)	C[3](C[3,6]C[3,6]C[6]F)2(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]F)(F)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]F)(F){1|C<4>,1|F<1>,1|O<1>,2|C<3>}	C[3](C[3,6]C[3,6]C[6]F)2(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]F)(F){1|Cl<1>,1|H<1>,2|C<3>,2|F<1>}	121.2995	1.152	2	121.2995	1.327	2	121.2995	1.327	2	118.5556	3.618	8	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H)	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	116.9980	0.000	1	116.9980	0.000	1	116.9980	0.000	1	118.5556	3.618	8	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:1:	4:3:2:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-3:O-2:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(H)	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(OC)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(OC){2|C<3>,3|H<1>}	120.2460	0.000	1	120.2460	0.000	1	120.2460	0.000	1	120.2460	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:N[6]-3:C-3:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]C)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CC[6a]O)(H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]C)(H){1|S<4>,2|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CC[6a]O)(H){1|N<3>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH){2|H<1>,3|C<3>}	121.4710	0.000	1	121.4710	0.000	1	121.4710	0.000	1	120.6380	1.388	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-3:C-3:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]C)(H)	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CNO)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CNO){2|C<3>,3|H<1>}	119.8050	0.000	1	119.8050	0.000	1	119.8050	0.000	1	120.6380	1.388	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:1:	4:3:4:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6]-3:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]C)(H)	C[3](C[3,6]C[3,6]C[6]H)2(COO)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN){2|C<3>,3|H<1>}	118.2190	0.000	1	118.2190	0.000	1	118.2190	0.000	1	118.2190	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:N-3:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]O)(H)	C[3](C[3,6]C[3,6]C[6]H)2(NOO)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(NOO)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,4|H<1>}	118.3390	0.000	1	118.3390	0.000	1	118.3390	0.000	1	123.9693	28.746	3	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:1:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:F-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]O)(F)	C[3](C[3,6]C[3,6]C[6]F)2(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]ClF)(O)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]O)(F){1|Cl<1>,2|F<1>,3|C<3>}	C[3](C[3,6]C[3,6]C[6]F)2(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]ClF)(O){1|H<1>,2|C<3>,2|F<1>}	126.7845	3.153	2	126.7845	9.941	2	126.7845	9.941	2	123.9693	28.746	3	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:2:	4:3:1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-2:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H)	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(CN)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(CN){4|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	121.0530	0.000	1	121.0530	0.000	1	121.0530	0.000	1	121.0530	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:3:	3:4:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H)	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O)	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H){1|O<1>,6|C<3>}	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O){1|Br<1>,1|H<1>,5|C<3>}	122.6955	1.347	2	122.4593	1.075	3	122.4593	1.075	3	120.9087	3.903	6	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:3:	3:4:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H)	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O)	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H){1|O<1>,6|C<3>}	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|O<1>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O){1|Br<1>,1|H<1>,5|C<3>}	121.9870	0.000	1	122.4593	1.075	3	122.4593	1.075	3	120.9087	3.903	6	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:3:	3:4:1:	C[3]-4:C[3,6]-4:C[6]-3:Br-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br)	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br){1|O<1>,6|C<3>}	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O){2|H<1>,5|C<3>}	119.2950	1.707	2	119.3580	1.469	3	119.3580	1.469	3	120.9087	3.903	6	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:3:	3:4:1:	C[3]-4:C[3,6]-4:C[6]-3:Br-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br)	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br){1|O<1>,6|C<3>}	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|O<1>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O){2|H<1>,5|C<3>}	119.4840	0.000	1	119.3580	1.469	3	119.3580	1.469	3	120.9087	3.903	6	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:3:	4:2:3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-3:C-3:	C[3,6]-4:O[6]-2:C-3:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]O[6]C)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CC[6a]O)2	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(CHH)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]O[6]C)(H){2|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CC[6a]O)2{1|O<2>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(CHH){1|H<1>,4|C<3>}	124.7480	0.000	1	124.7480	0.000	1	124.7480	0.000	1	124.7480	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:3:	4:3:1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|O<1>,4|H<1>,6|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	120.5790	0.000	1	120.5790	0.000	1	120.5790	0.000	1	120.5790	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:3:	4:3:2:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-3:N-2:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]N)(H)	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(NS)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]N)(H){1|H<1>,1|N<2>,5|C<3>}	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)2{2|N<2>,4|H<1>,6|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(NS){2|H<1>,3|C<3>}	120.6060	0.139	2	120.6060	0.019	2	120.6060	0.019	2	120.6060	0.019	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:3:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O){1|C<4>,1|H<1>,3|C<3>}	118.7500	1.257	2	119.0127	1.169	4	119.0127	1.169	4	119.2707	0.842	7	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:3:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|H<1>,2|O<1>,4|C<3>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O){1|C<4>,1|H<1>,3|C<3>}	119.2755	1.285	2	119.0127	1.169	4	119.0127	1.169	4	119.2707	0.842	7	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:3:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[4,6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[4,6]O)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6](C[3,6]C[3,6]C[3]H)(C[4,6]C[4,6]C[4]C)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[4,6]O)(H){1|O<1>,3|C<4>,4|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[4,6]C[4,6]C[4]C)(O){2|H<1>,3|C<3>,3|C<4>}	119.2430	0.303	2	119.2430	0.092	2	119.2430	0.092	2	119.2707	0.842	7	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:3:3:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	120.3580	0.000	1	120.3580	0.000	1	120.3580	0.000	1	119.2707	0.842	7	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:P-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HP)(C[6]C[6]H)(H)	C[3](C[3,6]C[3,6]C[6]H)2(PC3)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(PC3)(H){2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H){1|C<3>,1|P<4>,3|H<1>}	117.3125	0.349	2	117.3125	0.122	2	117.3125	0.122	2	117.3125	0.122	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:4:1:	4:3:4:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C[6]H)(C[6]C[6]C)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C[6]H)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6]C[6]H)(H){1|C<3>,4|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH){3|C<4>,3|H<1>}	118.0440	0.000	1	118.0440	0.000	1	118.0440	0.000	1	118.0440	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:4:2:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-2:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H)	C[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)(CN)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)(CN){1|O<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O){1|C<2>,2|C<4>,3|H<1>}	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:4:3:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-3:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CC)(C[6]C[6]H)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CCHH)(COO)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CCHH)(COO){1|H<1>,1|N<2>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H){1|C<4>,3|C<3>}	122.4210	0.000	1	122.4210	0.000	1	121.1140	3.416	2	121.1140	3.416	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:4:3:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-3:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]H)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CHHO)(CCO)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CHHO)(CCO){1|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.8070	0.000	1	119.8070	0.000	1	121.1140	3.416	2	121.1140	3.416	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,5,6]-4:C[3]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[3]C[3,5,6]CC)(C[6]C[6]O)(H)	C[3](C[3,5,6]C[5,6,6a]C[3,6]C[5])(C[3,6]C[3,5,6]C[6]H)(CH3)2	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6,6a]CO)(O)	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[3]C[3,5,6]CC)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[3](C[3,5,6]C[5,6,6a]C[3,6]C[5])(C[3,6]C[3,5,6]C[6]H)(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6,6a]CO)(O){2|C<4>,3|C<3>}	115.1990	0.000	1	115.1990	0.000	1	115.1990	0.000	1	122.8100	43.713	3	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6]-4:C[6,6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]O)(H)	C[3](C[3,6]C[3,6]C[6]H)2(CCHH)(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]O)(H){2|C<4>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(CCHH)(CH3){1|O<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(O){1|O<2>,4|C<4>,4|H<1>}	127.1330	0.000	1	127.1330	0.000	1	127.1330	0.000	1	122.8100	43.713	3	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H)	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O){1|C<2>,2|H<1>,3|C<4>}	126.0980	0.000	1	126.0980	0.000	1	126.0980	0.000	1	122.8100	43.713	3	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:2:	4:2:1:1:	4:3:1:	C[3x6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O)	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){2|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O){2|C<4>,4|H<1>}	115.3940	0.676	2	115.4983	0.261	3	115.4983	0.261	3	115.6470	0.263	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:2:	4:2:1:1:	4:3:1:	C[3x6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O)	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){2|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O){3|C<4>,3|H<1>}	115.7070	0.000	1	115.4983	0.261	3	115.4983	0.261	3	115.6470	0.263	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:2:	4:2:1:1:	4:3:1:	C[5,6,6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3]O[3]HH)(C[6]C[6]H)(O[3]C[3])	C[3](C[3,6]C[5,6,6]C[6]O[3])(O[3]C[3,6])(H)2	C[6](C[3,6]C[5,6,6]C[3]O[3])(C[6]C[6]H)(H)	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3]O[3]HH)(C[6]C[6]H)(O[3]C[3]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[3](C[3,6]C[5,6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[5,6,6]C[3]O[3])(C[6]C[6]H)(H){1|O<1>,2|C<4>,3|H<1>}	116.0930	0.000	1	116.0930	0.000	1	116.0930	0.000	1	115.6470	0.263	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:2:	4:2:4:4:	4:3:3:	C[5,6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6]-4:C[6]-3:C-3:	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]CC)(C[6]C[6]C)(O[3]C[3])	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(CH3)2	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]O)(CCC)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]CC)(C[6]C[6]C)(O[3]C[3]){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]O)(CCC){3|H<1>,4|C<4>}	123.9020	0.000	1	123.9020	0.000	1	123.9020	0.000	1	123.9020	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:2:	4:4:1:1:	4:2:1:	C[3]-4:C[3]-4:C[6]-3:N[6]-2:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3]C[3]CH)(C[3]C[3]HH)(C[6]O[6]O)(N[6]C[6])	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]CH)(H)2	C[6](C[3,6]C[3]2N[6])(O[6]C[6])(O)	C[3,6](C[3]C[3]CH)(C[3]C[3]HH)(C[6]O[6]O)(N[6]C[6]){1|C<4>,1|O<2>}	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3]2N[6])(O[6]C[6])(O){1|C<3>,3|C<4>,3|H<1>}	115.1110	0.293	2	115.1110	0.086	2	115.1110	0.086	2	115.1110	0.086	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:2:	4:4:1:1:	4:4:3:	C[3,6]-4:C[3]-4:C[6]-3:O-2:	C[3,6]-4:C[3,6]-4:Br-1:Br-1:	C[3,6]-4:C[6]-4:C-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]C)(OC)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Br)2	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]C)(OC){1|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Br)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH){2|Br<1>,1|C<4>,3|H<1>}	120.3360	0.000	1	120.3360	0.000	1	120.3360	0.000	1	119.7143	0.291	3	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:2:	4:4:1:1:	4:4:3:	C[3,6]-4:C[3]-4:C[6]-3:O-2:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[6]-4:C-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]C)(OC)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]C)(OC){1|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH){2|Cl<1>,1|C<4>,3|H<1>}	119.4035	0.037	2	119.4035	0.001	2	119.4035	0.001	2	119.7143	0.291	3	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:2:	4:4:3:1:	4:4:2:	C[3,6]-4:C[3]-4:C[6]-3:C-2:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:N-2:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]N)(CC)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]N)(CC){1|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN){1|C<3>,1|C<4>,4|H<1>}	113.7660	0.000	1	113.7660	0.000	1	113.7660	0.000	1	113.7660	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:2:	4:4:4:1:	4:2:1:	C[3]-4:C[3]-4:C[6]-3:N[6]-2:	C[3,6]-4:C[3]-4:C-4:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3]C[3]CH)(C[3]C[3]HH)(C[6]O[6]O)(N[6]C[6])	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(CHHO)(H)	C[6](C[3,6]C[3]2N[6])(O[6]C[6])(O)	C[3,6](C[3]C[3]CH)(C[3]C[3]HH)(C[6]O[6]O)(N[6]C[6]){1|C<4>,1|O<2>}	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3]2N[6])(O[6]C[6])(O){1|C<3>,3|C<4>,3|H<1>}	116.0780	0.000	1	116.0780	0.000	1	115.8195	0.134	2	115.8195	0.134	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:2:	4:4:4:1:	4:2:1:	C[3]-4:C[3]-4:C[6]-3:N[6]-2:	C[3,6]-4:C[3]-4:C-4:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3]C[3]CH)(C[3]C[3]HH)(C[6]O[6]O)(N[6]C[6])	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(CHOP)(H)	C[6](C[3,6]C[3]2N[6])(O[6]C[6])(O)	C[3,6](C[3]C[3]CH)(C[3]C[3]HH)(C[6]O[6]O)(N[6]C[6]){1|C<4>,1|O<2>}	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(CHOP)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3]2N[6])(O[6]C[6])(O){1|C<3>,3|C<4>,3|H<1>}	115.5610	0.000	1	115.5610	0.000	1	115.8195	0.134	2	115.8195	0.134	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:3:4:1:	4:3:1:	C[3]-4:C[3,6]-4:C[6]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:C[3,6]-4:H-1:	C[3,6]-4:C[6,6a]-3:O-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H){1|H<1>,2|O<1>,7|C<3>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O){3|H<1>,6|C<3>}	112.5830	0.000	1	112.5830	0.000	1	112.5830	0.000	1	112.5830	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:1:1:	4:2:1:	C[3,6]-4:C[3]-4:C[6]-3:S-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]O)(SC[6a]O)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(H)2	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]O)(SC[6a]O){1|C<4>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O){1|C<4>,5|H<1>}	122.1400	0.000	1	122.1400	0.000	1	122.1400	0.000	1	122.1400	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:1:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CCO)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CCO){1|C<3>,1|O<2>,2|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	114.4330	0.000	1	114.4330	0.000	1	114.4330	0.000	1	116.5870	9.125	9	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:1:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:N-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]N[6]O)(NOO)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]N)(H)2	C[6](C[3,6]C[3,6]C[3]N)(N[6]C[6]H)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]N[6]O)(NOO){1|C<4>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]N)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]N)(N[6]C[6]H)(O){2|C<4>,4|H<1>}	120.5215	0.972	2	120.5215	0.945	2	120.5215	0.945	2	116.5870	9.125	9	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:1:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(H)2	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	113.9190	0.000	1	113.9190	0.000	1	113.9190	0.000	1	116.5870	9.125	9	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:C[6]-3:C-1:	C[3,6](C[3]C[3]HH)2(C[6]C[6]C)(C[6]N[6]O)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(C)	C[3,6](C[3]C[3]HH)2(C[6]C[6]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2{1|C<1>,1|C<3>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(C){1|N<3>,1|O<1>,6|H<1>}	118.8390	0.156	2	118.8390	0.024	2	118.8390	0.024	2	116.5870	9.125	9	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3]C[3]HH)2(C[6]C[6]C)(C[6]N[6]O)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O)	C[3,6](C[3]C[3]HH)2(C[6]C[6]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2{1|C<1>,1|C<3>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O){1|C<1>,3|C<3>,6|H<1>}	114.1655	0.332	2	114.1655	0.110	2	114.1655	0.110	2	116.5870	9.125	9	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C[6]-3:N[6]-3:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]O)(N[6]C[6]C)	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]C[6a]H)(H)2	C[6](C[3,6]C[3]2N[6])(N[6]C[6]C)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]O)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>}	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]C[6a]H)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[3,6]C[3]2N[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,4|H<1>}	113.8790	0.000	1	113.8790	0.000	1	113.8790	0.000	1	116.5870	9.125	9	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]O)(COO)	C[3](C[3,6]C[3,6]C[6]C)2(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]C)2(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	117.1930	0.000	1	117.1930	0.000	1	117.1930	0.000	1	117.9175	0.305	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:N[5]-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2)	C[3](C[3,6]C[3,6]C[6]N[5])(C[3,6]C[3,6]C[6]H)(H)2	C[6](C[3,6]C[3,6]C[3]N[5])(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3](C[3,6]C[3,6]C[6]N[5])(C[3,6]C[3,6]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]N[5])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	118.3480	0.000	2	118.3480	0.000	2	118.3480	0.000	2	117.9175	0.305	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]C)(H)2	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]HH)(O)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]HH)(O){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	117.7810	0.000	1	117.7810	0.000	1	117.7810	0.000	1	117.9175	0.305	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:1:1:	4:4:3:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:P[6]-4:C-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]P[6]C)(COO)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)2	C[6](C[3,6]C[3,6]C[3]C)(P[6]C[6a]2C[6])(COO)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]P[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(P[6]C[6a]2C[6])(COO){1|C<4>,4|C<3>,5|H<1>}	120.1680	0.000	1	120.1680	0.000	1	120.1680	0.000	1	120.1680	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:2:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2{1|C<4>,2|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	116.8095	3.027	2	116.7903	3.949	4	116.7903	3.949	4	116.8383	5.829	6	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:2:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2{1|C<4>,2|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.7710	1.638	2	116.7903	3.949	4	116.7903	3.949	4	116.8383	5.829	6	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:2:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CCH)(H)	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2{1|C<4>,2|C<3>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CCH)(H){2|C<3>,2|O<1>,2|O<2>}	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.9345	4.156	2	116.9345	17.270	2	116.9345	17.270	2	116.8383	5.829	6	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3,5]-4:C[3]-4:C[6]-3:C[6]-3:	C[3,5]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6]C[6]H)2	C[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]2)(CC[6a]O)(H)	C[6](C[3,6]C[3,5]C[3]C[6])(C[6]C[6]C)(H)	C[3,6](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6]C[6]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]2)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[3,6]C[3,5]C[3]C[6])(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	117.4325	0.527	2	117.4325	0.278	2	117.4325	0.278	2	117.5627	5.746	23	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:N-3:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(NOO)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]N)(COO)(H)	C[6](C[3,6]C[3,6]C[3]N)(C[6]C[6,6a]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(NOO){1|H<1>,2|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]N)(COO)(H){1|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]N)(C[6]C[6,6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.8735	0.176	2	119.8735	0.031	2	119.8735	0.031	2	117.5627	5.746	23	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]C)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,5|C<3>,5|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	119.4600	0.000	1	119.4600	0.000	1	116.8970	13.138	2	117.5627	5.746	23	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	114.3340	0.000	1	114.3340	0.000	1	116.8970	13.138	2	117.5627	5.746	23	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)2{2|C<4>,3|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){4|C<3>,4|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H){1|O<1>,3|C<3>,3|H<1>}	118.1953	1.665	6	118.1953	2.773	6	118.1953	2.773	6	117.5627	5.746	23	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2{2|C<4>,3|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	117.3030	3.200	2	116.0180	6.711	4	116.0180	6.711	4	117.5627	5.746	23	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2{2|C<4>,3|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	114.7330	1.813	2	116.0180	6.711	4	116.0180	6.711	4	117.5627	5.746	23	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)2	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CC[6a]O)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)2{2|C<4>,3|C<3>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H){1|O<1>,3|C<3>,3|H<1>}	116.9045	1.214	2	116.9045	1.474	2	116.7160	6.290	6	117.5627	5.746	23	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)2	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CNO)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)2{2|C<4>,3|C<3>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CNO)(H){2|H<1>,4|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H){1|O<1>,3|C<3>,3|H<1>}	116.0575	2.733	2	116.0575	7.469	2	116.7160	6.290	6	117.5627	5.746	23	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)2	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(COO)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)2{2|C<4>,3|C<3>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(COO)(H){2|H<1>,4|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H){1|O<1>,3|C<3>,3|H<1>}	117.1860	4.596	2	117.1860	21.125	2	116.7160	6.290	6	117.5627	5.746	23	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3]-4:C[3]-4:C[6]-3:N[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]O)(N[6]C[6]C)	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3]2N[6])(N[6]C[6]C)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]O)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>}	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[3,6]C[3]2N[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,4|H<1>}	121.9970	0.000	1	121.9970	0.000	1	121.9970	0.000	1	117.5627	5.746	23	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]O)(COO)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CCH)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]CC)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]O)(COO){2|H<1>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CCH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]CC)(O){1|C<3>,1|C<4>,4|H<1>}	112.7950	0.000	1	112.7950	0.000	1	112.7950	0.000	1	116.4054	11.097	5	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:4:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]O)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]O)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	115.2880	2.222	2	115.2880	4.936	2	115.2880	4.936	2	116.4054	11.097	5	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:1:	4:4:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]O)2	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CHO)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]O)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CHO)(H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	119.3280	2.615	2	119.3280	6.838	2	119.3280	6.838	2	116.4054	11.097	5	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:2:	4:3:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[3,6]-4:C-3:C-2:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(COO)(CN)	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2{2|C<4>,3|C<3>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(COO)(CN){2|C<3>,2|N<3>,2|O<1>}	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	115.1025	1.804	2	115.1025	3.254	2	115.1025	3.254	2	115.1025	3.254	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:3:3:	4:3:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[3,6]-4:C-3:C-3:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CCO)2	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2{2|C<4>,3|C<3>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CCO)2{2|C<3>,2|N<3>,2|O<1>}	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	117.3830	0.820	2	117.3830	0.673	2	117.3830	0.673	2	117.3830	0.673	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:4:1:	4:2:1:	C[3,6]-4:C[3]-4:C[6]-3:S-3:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]O[6]O)(SC[6a]O)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]O[6]O)(SC[6a]O){1|C<4>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O){2|C<4>,4|H<1>}	117.4860	0.000	1	117.4860	0.000	1	117.4860	0.000	1	117.7727	9.236	3	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:4:1:	4:2:1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CC[6a]2H)(H)	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2{1|C<4>,2|C<3>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CC[6a]2H)(H){2|C<3>,2|O<1>,2|O<2>}	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	117.9160	4.284	2	117.9160	18.350	2	117.9160	18.350	2	117.7727	9.236	3	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:3:	4:4:4:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[3]C[3]2H)(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[3]C[3]2H)(H){3|H<1>,7|C<3>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H){1|C<4>,2|H<1>,4|C<3>}	116.5285	0.802	4	116.5285	0.643	4	116.5285	0.643	4	116.5285	0.643	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:4:	4:4:1:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]2C[6])(C[3]C[3,6]HH)(C[6]C[6]H)(CH3)	C[3](C[3,6]C[3,6]C[3]C[6])(C[3,6]C[3,6]C[6]C)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]2C[6])(C[3]C[3,6]HH)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[3]C[6])(C[3,6]C[3,6]C[6]C)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H){1|S<4>,2|C<4>,2|H<1>}	115.5110	0.000	1	115.5110	0.000	1	115.1960	0.198	2	115.6130	9.543	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:4:	4:4:1:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(CH3)	C[3](C[3,6]C[3,6]C[6]C)2(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(CH3){1|N<3>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]C)2(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H){1|S<4>,2|C<4>,2|H<1>}	114.8810	0.000	1	114.8810	0.000	1	115.1960	0.198	2	115.6130	9.543	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:4:	4:4:1:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CC3)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	112.3060	0.000	1	112.3060	0.000	1	112.3060	0.000	1	115.6130	9.543	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:4:	4:4:1:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:S-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]S)(H)2	C[6](C[3,6]C[3,6]C[3]S)(C[6]C[6]S)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<4>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]S)(C[6]C[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	115.6130	9.543	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[5,5,6]C[3]C)(C[3]C[3,6]HH)(C[6]C[6]O)(CH3)	C[3](C[3,6]C[5,5,6]C[3,6]C)(C[3,6]C[3,6]C[6]C)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[5,5,6]HH)(O)	C[3,6](C[3,6]C[5,5,6]C[3]C)(C[3]C[3,6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[3](C[3,6]C[5,5,6]C[3,6]C)(C[3,6]C[3,6]C[6]C)(H)2{1|O<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[5,5,6]HH)(O){2|H<1>,4|C<4>}	116.0080	0.000	1	116.0080	0.000	1	116.0080	0.000	1	116.0080	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:4:	4:4:3:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]O)(CH3)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]O)(CH3){1|C<4>,1|S<4>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(O){1|C<3>,1|C<4>,4|H<1>}	115.2870	0.000	1	115.2870	0.000	1	115.2870	0.000	1	115.2870	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:4:	4:4:3:3:	4:3:1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,5|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|O<1>,4|H<1>,6|C<3>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	116.7790	0.000	1	116.7790	0.000	1	116.7790	0.000	1	116.7790	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:4:	4:4:3:3:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O){1|C<4>,1|H<1>,3|C<3>}	115.4285	0.279	2	116.0738	2.794	4	116.0738	2.794	4	116.7061	2.280	7	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:4:	4:4:3:3:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|H<1>,2|O<1>,4|C<3>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O){1|C<4>,1|H<1>,3|C<3>}	116.7190	2.577	2	116.0738	2.794	4	116.0738	2.794	4	116.7061	2.280	7	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:4:	4:4:3:3:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[4,6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[4,6]O)(CH3)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6](C[3,6]C[3,6]C[3]C)(C[4,6]C[4,6]C[4]H)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[4,6]O)(CH3){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[4,6]C[4,6]C[4]H)(O){2|C<4>,3|C<3>,3|H<1>}	117.3910	1.189	2	117.3910	1.415	2	117.3910	1.415	2	116.7061	2.280	7	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:3:4:	4:4:3:3:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	117.8660	0.000	1	117.8660	0.000	1	117.8660	0.000	1	116.7061	2.280	7	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:2:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[3]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,6|H<1>}	115.8960	0.000	1	115.8960	0.000	1	115.8890	0.000	2	115.8890	0.000	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:2:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[3]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|C<3>,1|C<4>,7|H<1>}	115.8820	0.000	1	115.8820	0.000	1	115.8890	0.000	2	115.8890	0.000	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:C[6]-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(C[6]C[6]2)	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(C[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]H)2{1|C<2>,2|C<4>,7|H<1>}	118.5830	0.000	1	118.5830	0.000	1	118.5830	0.000	1	118.5830	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O)	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O){1|I<1>,2|C<3>,3|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	117.2225	0.767	2	116.9113	0.585	3	116.9113	0.585	3	117.0138	0.432	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O)	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	116.2890	0.000	1	116.9113	0.585	3	116.9113	0.585	3	117.0138	0.432	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[3]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,6|H<1>}	117.3210	0.000	1	117.3210	0.000	1	117.3210	0.000	1	117.0138	0.432	4	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:4:3:	4:4:3:1:	4:2:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,6|H<1>}	111.6530	0.000	1	111.6530	0.000	1	111.6020	0.005	2	111.6020	0.005	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:4:3:	4:4:3:1:	4:2:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|C<3>,1|C<4>,7|H<1>}	111.5510	0.000	1	111.5510	0.000	1	111.6020	0.005	2	111.6020	0.005	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	4:4:4:3:	4:4:3:1:	4:4:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,6|H<1>}	111.1740	0.000	1	111.1740	0.000	1	111.1740	0.000	1	111.1740	0.000	1	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6]	6:4:3:3:	6:4:1:1:	4:3:1:	Nb[3,4]-6:C[3]-4:C[6]-3:C[6]-3:	Nb[3,4]-6:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](Nb[3,4]C[3]N[4]2CN)(C[3]Nb[3,4]HH)(C[6]C[6]H)2	C[3](Nb[3,4]C[3,6]N[4]2CN)(C[3,6]Nb[3,4]C[6]2)(H)2	C[6](C[3,6]Nb[3,4]C[3]C[6])(C[6]C[6]H)(H)	C[3,6](Nb[3,4]C[3]N[4]2CN)(C[3]Nb[3,4]HH)(C[6]C[6]H)2{1|C<4>,2|H<1>,3|C<3>}	C[3](Nb[3,4]C[3,6]N[4]2CN)(C[3,6]Nb[3,4]C[6]2)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[3,6]Nb[3,4]C[3]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	121.9730	0.824	2	121.9730	0.680	2	121.9730	0.680	2	121.9730	0.680	2	118.0359	9.752	195	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6]	4:4:3:1:	4:4:4:4:	4:3:3:	C[3,5]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-4:	C[3]-4:C[6]-3:C[6]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6]C[6]2)(H)	C[3,5](C[3]C[3]C[6]H)(C[3]C[3]HH)(C[5]C[5]HH)2	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6]C[6]2)(H){1|C<3>,1|S<4>,4|C<4>,4|H<1>}	C[3,5](C[3]C[3]C[6]H)(C[3]C[3]HH)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S){3|C<4>,6|H<1>}	119.5590	0.000	1	119.5590	0.000	1	119.5590	0.000	1	119.5590	0.000	1	119.5590	0.000	1	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6]	4:4:3:1:	3:4:4:1:	3:4:2:	C[3,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[3]-4:N[6]-2:	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6a]N[6])(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]2H)(N[6]S[6])	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6a]N[6])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]2H)(N[6]S[6]){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	118.3450	0.000	1	118.3450	0.000	1	118.3450	0.000	1	118.3450	0.000	1	117.7275	0.763	2	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6]	4:4:3:1:	4:4:4:1:	3:4:2:	C[3,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6,6a]-3:C[3]-4:N[6]-2:	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6a]N[6])(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]2H)(N[6]S[6])	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6a]N[6])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]2H)(N[6]S[6]){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	117.1100	0.000	1	117.1100	0.000	1	117.1100	0.000	1	117.1100	0.000	1	117.7275	0.763	2	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3]	C[6,6]	3:4:4:4:	4:3:4:1:	4:3:4:	C[6,6]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	Ge[3x6]-4:C[6,6]-3:C[3]-4:	C[3](C[6,6]Ge[3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3)	C[3](C[3]C[6,6]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HO)(H)	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]H)(C[3]C[3]2C)	C[3](C[6,6]Ge[3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3){1|Ge<4>,1|C<4>,1|H<1>,4|C<3>}	C[3](C[3]C[6,6]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HO)(H){1|Ge<4>,2|H<1>,3|C<3>}	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]H)(C[3]C[3]2C){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	116.4470	0.000	1	116.4470	0.000	1	116.4470	0.000	1	116.1675	0.156	2	116.4528	4.354	4	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3]	C[6,6]	3:4:4:4:	4:3:4:1:	4:3:4:	C[6,6]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	Ge[5,3x6]-4:C[6,6]-3:C[3]-4:	C[3](C[6,6]Ge[5,3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3)	C[3](C[3]C[6,6]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HO)(H)	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]H)(C[3]C[3]2C)	C[3](C[6,6]Ge[5,3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3){1|Ge<4>,1|C<4>,1|H<1>,4|C<3>}	C[3](C[3]C[6,6]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HO)(H){1|Ge<4>,2|H<1>,3|C<3>}	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]H)(C[3]C[3]2C){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	115.8880	0.000	1	115.8880	0.000	1	115.8880	0.000	1	116.1675	0.156	2	116.4528	4.354	4	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3]	C[6,6]	3:4:4:4:	4:4:2:1:	4:3:4:	C[6,6]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:O-2:H-1:	Ge[3x6]-4:C[6,6]-3:C[3]-4:	C[3](C[6,6]Ge[3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3)	C[3](C[3]C[6,6]C[3]C)(C[3]C[6a]C[3]H)(OC)(H)	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]H)(C[3]C[3]2C)	C[3](C[6,6]Ge[3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3){1|Ge<4>,1|C<4>,1|H<1>,4|C<3>}	C[3](C[3]C[6,6]C[3]C)(C[3]C[6a]C[3]H)(OC)(H){1|Ge<4>,3|C<3>}	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]H)(C[3]C[3]2C){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	114.2300	0.000	1	114.2300	0.000	1	114.2300	0.000	1	116.7380	12.580	2	116.4528	4.354	4	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3]	C[6,6]	3:4:4:4:	4:4:2:1:	4:3:4:	C[6,6]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:O-2:H-1:	Ge[5,3x6]-4:C[6,6]-3:C[3]-4:	C[3](C[6,6]Ge[5,3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3)	C[3](C[3]C[6,6]C[3]C)(C[3]C[6a]C[3]H)(OC)(H)	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]H)(C[3]C[3]2C)	C[3](C[6,6]Ge[5,3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3){1|Ge<4>,1|C<4>,1|H<1>,4|C<3>}	C[3](C[3]C[6,6]C[3]C)(C[3]C[6a]C[3]H)(OC)(H){1|Ge<4>,3|C<3>}	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]H)(C[3]C[3]2C){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	119.2460	0.000	1	119.2460	0.000	1	119.2460	0.000	1	116.7380	12.580	2	116.4528	4.354	4	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3]	C[6]	3:4:4:1:	4:3:4:1:	3:4:2:	C[6]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6,6a]-3:C[3]-4:N[6]-2:	C[3](C[6]C[6,6a]N[6])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(N[6]S[6])	C[3](C[6]C[6,6a]N[6])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H){1|S<4>,4|C<3>}	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(N[6]S[6]){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	119.8150	1.225	2	119.8150	1.500	2	119.8150	1.500	2	119.8150	1.500	2	120.2002	1.972	16	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3]	C[6]	3:4:4:1:	4:4:1:1:	3:2:4:	C[6]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	N[6,6]-3:N[6]-2:C[3]-4:	C[3](C[6]N[6,6]N[6])(C[3]C[3]HH)2(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(C[3]C[3]2H)	C[3](C[6]N[6,6]N[6])(C[3]C[3]HH)2(H){1|C<4>,2|C<3>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2{1|N<2>,1|N<3>}	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(C[3]C[3]2H){1|N<3>,4|C<3>,5|H<1>}	118.8500	0.549	2	118.8500	0.301	2	118.8500	0.301	2	118.8500	0.301	2	120.2002	1.972	16	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3]	C[6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[3]-4:	C[3](C[6]C[6,6a]C[6])(C[3]C[3]HH)2(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[3]C[3]2H)	C[3](C[6]C[6,6a]C[6])(C[3]C[3]HH)2(H){1|N<3>,3|C<3>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[3]C[3]2H){5|H<1>,6|C<3>}	120.1230	0.071	2	120.1230	0.005	2	120.1230	0.005	2	120.7235	0.483	4	120.2002	1.972	16	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3]	C[6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	N[6]-3:C[6]-3:C[3]-4:	C[3](C[6]C[6]N[6])(C[3]C[3]HH)2(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[3]C[3]2H)	C[3](C[6]C[6]N[6])(C[3]C[3]HH)2(H){1|H<1>,1|S<4>,2|C<3>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<3>}	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[3]C[3]2H){2|O<1>,4|C<3>,4|H<1>}	121.3240	0.038	2	121.3240	0.001	2	121.3240	0.001	2	120.7235	0.483	4	120.2002	1.972	16	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3]	C[6]	3:4:4:1:	4:4:1:1:	3:4:2:	C[6]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6,6a]-3:C[3]-4:N[6]-2:	C[3](C[6]C[6,6a]N[6])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(N[6]S[6])	C[3](C[6]C[6,6a]N[6])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H){1|S<4>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(H)2{1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(N[6]S[6]){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	118.2130	0.972	2	118.2130	0.944	2	118.2130	0.944	2	118.2130	0.944	2	120.2002	1.972	16	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3]	C[6]	4:3:3:1:	4:3:3:1:	4:3:2:	C[3]-4:C[3]-3:C[6]-3:H-1:	C[3]-4:C[3]-3:C-3:H-1:	C[3]-4:C[6]-3:C[6]-2:	C[3](C[3]C[3]CH)(C[3]C[3]H)(C[6]C[6]2)(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]H)(CCO)(H)	C[6](C[3]C[3]2H)(C[6]C[6]H)(C[6]C[6])	C[3](C[3]C[3]CH)(C[3]C[3]H)(C[6]C[6]2)(H){1|H<1>,2|C<3>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]H)(CCO)(H){1|C<2>,1|C<3>}	C[6](C[3]C[3]2H)(C[6]C[6]H)(C[6]C[6]){2|C<3>,4|H<1>}	122.5580	0.000	1	122.5580	0.000	1	122.5580	0.000	1	122.5580	0.000	1	120.2002	1.972	16	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3]	C[6]	4:4:3:1:	4:3:4:3:	4:3:3:	C[3]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[6]-3:C[6]-3:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[6]C[6]2)(H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6](C[3]C[3]2H)(C[6]C[6]H)2	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[6]C[6]2)(H){1|C<2>,2|H<1>,3|C<3>}	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6](C[3]C[3]2H)(C[6]C[6]H)2{3|C<3>,3|H<1>}	120.2110	0.000	1	120.2110	0.000	1	120.2110	0.000	1	120.2110	0.000	1	120.2002	1.972	16	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3]	C[6]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6]-3:H-1:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6]-3:C[6]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6]C[6]2)(H)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[6]H)(H)2	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6]C[6]2)(H){1|C<3>,1|S<4>,4|C<4>,4|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[6]H)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S){3|C<4>,6|H<1>}	120.7400	0.000	1	120.7400	0.000	1	120.7400	0.000	1	121.6270	1.574	2	120.2002	1.972	16	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3]	C[6]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6]-3:C[6]-3:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[6]C[6]2)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]C[6]H)(H)2	C[6](C[3]C[3]2H)(C[6]C[6]H)2	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[6]C[6]2)(H){1|C<2>,2|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]C[6]H)(H)2{4|C<3>}	C[6](C[3]C[3]2H)(C[6]C[6]H)2{3|C<3>,3|H<1>}	122.5140	0.000	1	122.5140	0.000	1	122.5140	0.000	1	121.6270	1.574	2	120.2002	1.972	16	118.7044	12.094	364
486	486	762	0:SP3_SP2_SP3	C[3]	C[3]	C[6]	4:4:3:1:	4:4:1:1:	4:3:4:	C[3]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6]-4:C[6]-3:C[3]-4:	C[3](C[3]C[3]HH)2(C[6]C[6]2)(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(C[3]C[3]2H)	C[3](C[3]C[3]HH)2(C[6]C[6]2)(H){1|H<1>,1|O<2>,3|C<3>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(C[3]C[3]2H){4|H<1>,6|C<3>}	120.2655	1.111	2	120.2655	1.234	2	120.2655	1.234	2	120.2655	1.234	2	120.2002	1.972	16	118.7044	12.094	364
486	486	762	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,3x6]	C[6]	4:4:4:3:	4:4:4:4:	4:2:1:	C[3,3x6]-4:C[3,5,6]-4:C[5,6]-4:C[6]-3:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[3,5,6,6]-4:O[6]-2:O-1:	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3)	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(O[6]C[6])(O)	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]O[6]O){4|C<4>,5|H<1>}	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3){11|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(O[6]C[6])(O){4|C<4>,5|H<1>}	119.3840	0.000	1	119.3840	0.000	1	119.3840	0.000	1	119.3840	0.000	1	119.3840	0.000	1	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[6]	4:4:4:3:	4:4:4:3:	4:3:1:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[5,6]-3:	C[3,5,6,6]-4:C[6]-3:H-1:	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]C[5])	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[5,6]H)(H)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[5,6]H)(H){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	118.5035	0.117	2	118.5035	0.014	2	118.5035	0.014	2	118.5035	0.014	2	118.6937	0.115	3	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[6]	4:4:4:3:	4:4:4:4:	4:3:1:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-4:	C[3,5,6,6]-4:C[6]-3:O-1:	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]O)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(O)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]O){2|C<3>,7|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,5|H<1>}	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	119.0740	0.000	1	119.0740	0.000	1	119.0740	0.000	1	119.0740	0.000	1	118.6937	0.115	3	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[6]	4:3:3:2:	4:4:3:2:	4:3:1:	C[3,5,6]-4:C[5]-3:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5,5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	118.4920	0.000	1	118.4920	0.000	1	118.4920	0.000	1	118.4920	0.000	1	118.1527	2.452	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[6]	4:4:3:2:	4:3:3:2:	4:3:1:	C[3,5,6]-4:C[5,5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5]-3:C[6]-3:O[3]-2:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6](C[3,5,6]C[3,5,6]C[5,5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[3,5,6]C[3,5,6]C[5,5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,2|H<1>,4|C<3>}	117.0720	0.000	1	117.0720	0.000	1	117.0720	0.000	1	117.0720	0.000	1	118.1527	2.452	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[6]	4:4:3:2:	4:4:3:2:	4:3:1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,1|O<2>,7|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,2|O<2>,5|C<3>}	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	119.9890	0.000	1	119.9890	0.000	1	119.3565	0.800	2	119.8200	0.583	4	118.1527	2.452	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[6]	4:4:3:2:	4:4:3:2:	4:3:1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,2|O<2>,5|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,1|O<2>,7|C<3>}	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,5|C<3>}	118.7240	0.000	1	118.7240	0.000	1	119.3565	0.800	2	119.8200	0.583	4	118.1527	2.452	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[6]	4:4:3:2:	4:4:3:2:	4:3:1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,3|H<1>,4|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,3|C<4>,4|C<3>}	120.0720	0.000	1	120.0720	0.000	1	120.0720	0.000	1	119.8200	0.583	4	118.1527	2.452	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[6]	4:4:3:2:	4:4:3:2:	4:3:1:	C[3,5,6]-4:C[5]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,3|H<1>,4|C<3>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|C<3>,3|H<1>}	120.4950	0.000	1	120.4950	0.000	1	120.4950	0.000	1	119.8200	0.583	4	118.1527	2.452	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[6]	4:4:4:3:	4:4:4:3:	4:3:1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]CF)(C[5]C[5]HH)(C[6]C[6]H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]CF)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]H)(H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]CF)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,6|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]CF)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,6|H<1>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]H)(H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	116.2070	0.397	2	116.2070	0.158	2	116.6562	0.468	4	116.6562	0.468	4	118.1527	2.452	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[6]	4:4:4:3:	4:4:4:3:	4:3:1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]C)(H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]C)(H){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.6370	0.000	1	116.6370	0.000	1	116.6562	0.468	4	116.6562	0.468	4	118.1527	2.452	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[6]	4:4:4:3:	4:4:4:3:	4:3:1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]O)(H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]O)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	117.5740	0.000	1	117.5740	0.000	1	116.6562	0.468	4	116.6562	0.468	4	118.1527	2.452	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[6]	4:4:4:3:	4:4:4:4:	4:3:1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[6,6]-4:C[3]-4:C[5]-4:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[3,5,6]C[6,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5]2H)(C[6]C[6]H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,5,6]HH)(C[5]C[5]HH)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6,6]H)(H)	C[3,5,6](C[3,5,6]C[6,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,5,6]HH)(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	118.2110	0.000	1	118.2110	0.000	1	118.2110	0.000	1	118.2110	0.000	1	118.1527	2.452	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[6]	4:3:3:3:	4:3:3:4:	4:3:4:	C[3,6]-4:N[5,6]-3:P[3,5]-3:C[6]-3:	C[3,5,6]-4:P[3,5]-3:C[6]-3:C-4:	C[3,5,6]-4:C[6]-3:C-4:	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C)	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3)	C[6](C[3,5,6]C[3,6]N[5,6]P[3,5])(C[6]C[6]H)(CH3)	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3){3|C<3>,3|C<4>}	C[6](C[3,5,6]C[3,6]N[5,6]P[3,5])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	119.1180	0.000	1	119.1180	0.000	1	119.1180	0.000	1	119.1180	0.000	1	116.9884	2.721	5	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[6]	4:4:3:3:	4:4:4:1:	4:2:2:	C[3,5]-4:C[3,6]-4:C[5]-3:C[6]-3:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5,6]-4:O[6]-2:O-2:	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]P[5]C)(C[6]O[6]O)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]B[6]HH)(H)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(O[6]B[6])(OC)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]P[5]C)(C[6]O[6]O){1|B<4>,2|C<4>,4|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]B[6]HH)(H){1|P<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(O[6]B[6])(OC){1|H<1>,1|P<4>,3|C<3>,3|C<4>}	114.5760	0.000	1	114.5760	0.000	1	114.5760	0.000	1	114.5760	0.000	1	116.9884	2.721	5	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[6]	4:4:4:3:	4:4:3:1:	4:3:1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]C)(H)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]C)(H)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	116.6340	0.000	1	116.6340	0.000	1	116.6340	0.000	1	116.6340	0.000	1	116.9884	2.721	5	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[6]	4:4:4:3:	4:4:3:3:	4:3:1:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6a]O[6])(H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,3|C<3>,7|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6a]O[6])(H){2|C<4>,3|H<1>,4|C<3>}	116.9890	0.000	1	116.9890	0.000	1	116.9890	0.000	1	116.9890	0.000	1	116.9884	2.721	5	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[6]	4:4:4:3:	4:4:4:1:	4:3:4:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-3:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5,6]-4:C[6]-3:C-4:	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CC)(H)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]H)(CH3)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C){1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]H)(CH3){3|C<4>,6|H<1>}	117.6250	0.000	1	117.6250	0.000	1	117.6250	0.000	1	117.6250	0.000	1	116.9884	2.721	5	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6,6]	C[6,6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:H-1:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[3,6,6]-4:H-1:	C[3,6,6]-4:C[6,6]-3:H-1:	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[6,6]C[6,6]H)(H)	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[3,5,6,6]C[6,6]H)(H)	C[6,6](C[3,6,6]C[3,5,6,6]2H)(C[6,6]C[5,5,6,6]H)(H)	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[6,6]C[6,6]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[3,5,6,6]C[6,6]H)(H){2|Si<4>,2|C<3>,2|H<1>}	C[6,6](C[3,6,6]C[3,5,6,6]2H)(C[6,6]C[5,5,6,6]H)(H){1|Si<4>,2|C<4>,2|H<1>}	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	118.5880	2.065	8	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6,6]	C[6,6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:H-1:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[3,6,6]-4:Si-4:	C[3,6,6]-4:C[6,6]-3:H-1:	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[6,6]C[6,6]H)(H)	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]Si)(C[3,6,6]C[3,5,6,6]C[6,6]H)(SiC3)	C[6,6](C[3,6,6]C[3,5,6,6]2H)(C[6,6]C[5,5,6,6]H)(H)	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[6,6]C[6,6]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]Si)(C[3,6,6]C[3,5,6,6]C[6,6]H)(SiC3){3|C<3>,3|H<1>}	C[6,6](C[3,6,6]C[3,5,6,6]2H)(C[6,6]C[5,5,6,6]H)(H){1|Si<4>,2|C<4>,2|H<1>}	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	118.5880	2.065	8	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6,6]	C[6,6]	4:4:3:2:	4:4:4:3:	4:4:1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:C-2:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[5,6]-3:	C[3,6,6]-4:C[6,6]-4:O-1:	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])(C[3,5,6,6]C[3,5,6,6]C[5,6]2)(C[6,6]C[6,6]O)(CN)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]C[5])	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]HH)(O)	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])(C[3,5,6,6]C[3,5,6,6]C[5,6]2)(C[6,6]C[6,6]O)(CN){2|C<3>,2|C<4>,7|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	118.4795	1.097	2	118.4795	1.203	2	118.4795	1.203	2	118.9770	0.804	4	118.5880	2.065	8	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6,6]	C[6,6]	4:4:3:2:	4:4:4:3:	4:4:1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:C-2:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-4:O-1:	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])(C[3,5,6,6]C[3,5,6,6]C[5,6]2)(C[6,6]C[6,6]O)(CN)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H)	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]HH)(O)	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])(C[3,5,6,6]C[3,5,6,6]C[5,6]2)(C[6,6]C[6,6]O)(CN){2|C<3>,2|C<4>,7|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	119.4745	0.469	2	119.4745	0.220	2	119.4745	0.220	2	118.9770	0.804	4	118.5880	2.065	8	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6,6]	C[6,6]	4:4:3:3:	4:4:4:3:	4:3:1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:C-3:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-3:H-1:	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])2(C[6,6]C[6,6]H)(COO)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]H)(H)	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])2(C[6,6]C[6,6]H)(COO){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]O){2|C<3>,7|H<1>}	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	115.7300	0.000	1	115.7300	0.000	1	115.7300	0.000	1	115.7300	0.000	1	118.5880	2.065	8	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6,6]	C[6,6]	4:4:3:3:	4:4:4:4:	4:3:1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:C-3:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-3:H-1:	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])2(C[6,6]C[6,6]H)(COO)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]H)(H)	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])2(C[6,6]C[6,6]H)(COO){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	117.8930	0.000	1	117.8930	0.000	1	117.8930	0.000	1	117.8930	0.000	1	118.5880	2.065	8	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6]	C[6,6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-3:H-1:	C[3,6,6]-4:C[6,6]-3:H-1:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]H)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C)(H)	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(H)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C)(H){2|C<3>,3|H<1>}	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	117.0650	0.216	2	117.0650	0.047	2	117.0650	0.047	2	117.0650	0.047	2	117.4871	1.167	8	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6]	C[6,6]	4:4:3:1:	4:4:4:1:	4:3:4:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[3,6,6]-4:C[6,6]-3:C-4:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]C)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]CH)(H)	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(CH3)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]CH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(CH3){1|H<1>,4|C<4>}	118.4680	0.000	1	118.4680	0.000	1	118.4680	0.000	1	118.4680	0.000	1	117.4871	1.167	8	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6]	C[6,6]	4:4:3:1:	4:4:4:3:	4:3:1:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:C-3:	C[3,6,6]-4:C[6,6]-3:H-1:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]H)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[5a]H)(CC[6a]O)	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(H)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[5a]H)(CC[6a]O){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	117.8690	0.000	1	117.8690	0.000	1	117.9785	0.024	2	117.9785	0.024	2	117.4871	1.167	8	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6]	C[6,6]	4:4:3:1:	4:4:4:3:	4:3:1:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:C-3:	C[3,6,6]-4:C[6,6]-3:H-1:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]H)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(CC[6a]O)	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(H)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	118.0880	0.000	1	118.0880	0.000	1	117.9785	0.024	2	117.9785	0.024	2	117.4871	1.167	8	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6]	C[6,6]	4:4:3:1:	4:4:4:4:	4:3:4:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:C-4:	C[3,6,6]-4:C[6,6]-3:C-4:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]C)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[6a]H)(CH3)	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(CH3)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[6a]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(CH3){1|H<1>,4|C<4>}	118.7640	0.000	1	118.7640	0.000	1	118.7640	0.000	1	118.7640	0.000	1	117.4871	1.167	8	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6]	C[6,6]	4:4:3:4:	4:4:3:1:	4:4:1:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:C-4:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:O-1:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]O)(CH3)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6]C[5,6,6]O)(H)	C[6,6](C[3,6,6]C[3,5,6]2C)(C[6,6]C[5,6,6]HO)(O)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6]C[5,6,6]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[6,6](C[3,6,6]C[3,5,6]2C)(C[6,6]C[5,6,6]HO)(O){1|H<1>,2|C<3>,2|C<4>}	115.3410	0.000	1	115.3410	0.000	1	115.3410	0.000	1	115.3410	0.000	1	117.4871	1.167	8	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6]	C[6,6]	4:4:3:4:	4:4:4:3:	4:4:1:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:C-4:	C[3,5,6]-4:C[3,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[3,6,6]-4:C[6,6]-4:O-1:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]O)(CH3)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6,6]C[5,6,6]C[6]2)(C[6a]C[6a]2)	C[6,6](C[3,6,6]C[3,5,6]2C)(C[6,6]C[5,6,6]HO)(O)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6,6]C[5,6,6]C[6]2)(C[6a]C[6a]2){2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6,6](C[3,6,6]C[3,5,6]2C)(C[6,6]C[5,6,6]HO)(O){1|H<1>,2|C<3>,2|C<4>}	117.2370	0.000	1	117.2370	0.000	1	117.2370	0.000	1	117.2370	0.000	1	117.4871	1.167	8	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6,6]	C[6,6]	4:3:2:4:	4:4:2:4:	4:4:3:	C[3,6,6]-4:C[6,6]-3:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){5|C<4>,7|H<1>}	117.7790	0.000	1	117.7790	0.000	1	118.4560	0.917	2	118.4560	0.917	2	117.0095	3.312	4	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6,6]	C[6,6]	4:3:2:4:	4:4:2:4:	4:4:3:	C[3,6,6]-4:C[6,6]-3:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){5|C<4>,7|H<1>}	119.1330	0.000	1	119.1330	0.000	1	118.4560	0.917	2	118.4560	0.917	2	117.0095	3.312	4	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6,6]	C[6,6]	4:3:4:4:	4:4:4:4:	4:4:3:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H){6|C<4>,8|H<1>}	116.1330	0.000	1	116.1330	0.000	1	115.5630	0.650	2	115.5630	0.650	2	117.0095	3.312	4	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6,6]	C[6,6]	4:3:4:4:	4:4:4:4:	4:4:3:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO){6|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	114.9930	0.000	1	114.9930	0.000	1	115.5630	0.650	2	115.5630	0.650	2	117.0095	3.312	4	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6,6]	C[6]	4:2:3:3:	4:4:2:3:	4:3:1:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-3:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:C[6]-3:O-1:	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]C)(O)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]C)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	122.0790	0.000	1	122.0790	0.000	1	122.0790	0.000	1	122.0790	0.000	1	116.6444	15.000	7	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6,6]	C[6]	4:2:3:3:	4:4:2:3:	4:4:1:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-3:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:C[6]-4:O-1:	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(O)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	114.4000	0.000	1	114.4000	0.000	1	114.4000	0.000	1	114.4000	0.000	1	116.6444	15.000	7	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6,6]	C[6]	4:2:3:4:	4:4:4:2:	4:3:1:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:N[6,6]-3:O-1:	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6])	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(N[6,6]C[6,6]C[6])(O)	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH){4|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6]){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(N[6,6]C[6,6]C[6])(O){4|H<1>,6|C<4>}	119.9660	0.000	1	119.9660	0.000	1	119.9660	0.000	1	119.9660	0.000	1	116.6444	15.000	7	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6,6]	C[6]	4:4:2:3:	4:2:3:3:	4:3:1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-3:	C[3,6,6]-4:C[6]-3:O-1:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]O)(O)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]O)(O){2|C<3>,4|C<4>}	113.3130	0.000	1	113.3130	0.000	1	113.3130	0.000	1	113.3130	0.000	1	116.6444	15.000	7	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6,6]	C[6]	4:4:3:2:	4:4:4:2:	4:4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:O-1:	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])	C[3,6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(O)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6]){1|O<2>,3|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(O){1|O<2>,2|H<1>,3|C<4>}	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	116.6444	15.000	7	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6,6]	C[6]	4:4:4:3:	4:4:4:4:	4:3:1:	C[3,6,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-3:O-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6,6]H)(O)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6,6]H)(O){4|C<4>,4|H<1>}	117.8320	0.000	1	117.8320	0.000	1	117.8320	0.000	1	117.8320	0.000	1	116.6444	15.000	7	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6,6]	C[6]	4:4:4:3:	4:4:4:4:	4:4:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:O-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HO)(O)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O){1|O<2>,4|H<1>,8|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HO)(O){4|H<1>,5|C<4>}	111.1180	0.000	1	111.1180	0.000	1	111.1180	0.000	1	111.1180	0.000	1	116.6444	15.000	7	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[3x6]	4:3:4:2:	4:2:4:1:	4:3:4:	C[3,6]-4:C[3x6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-3:C[6,6]-4:	C[3,6,6](C[3,6]C[6]O[3]H)(C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[3x6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H)	C[3x6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)	C[3,6,6](C[3,6]C[6]O[3]H)(C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O[3]C[3,6]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[3,6](C[3,6,6]C[3x6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C){1|C<3>,1|O<1>,2|O<2>,3|C<4>,6|H<1>}	119.4090	0.000	1	119.4090	0.000	1	119.4090	0.000	1	119.4090	0.000	1	119.4090	0.000	1	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6,6]	3:4:4:2:	4:4:2:1:	4:4:3:	C[6,6]-3:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[4x6]-4:C[3,6,6]-4:C[6]-3:	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3x6]HH)(O[3]C[3,6,6])(H)	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]H)	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6]){1|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3x6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,5|C<4>}	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]H){1|O<1>,3|H<1>,3|O<2>,7|C<4>}	119.5978	0.086	4	119.5978	0.007	4	119.5978	0.007	4	119.5978	0.007	4	118.4319	8.953	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6,6]	4:3:4:2:	4:4:2:1:	4:4:3:	C[3,6]-4:C[6,6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	120.6840	0.000	1	120.6840	0.000	1	120.6913	0.320	3	120.3517	0.675	4	118.4319	8.953	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6,6]	4:3:4:2:	4:4:2:1:	4:4:3:	C[3,6]-4:C[6,6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HO)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	120.6950	0.800	2	120.6950	0.641	2	120.6913	0.320	3	120.3517	0.675	4	118.4319	8.953	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6,6]	4:3:4:2:	4:4:2:1:	4:4:3:	C[5,6]-4:C[6,6]-3:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[3,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[3,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,4|H<1>,6|C<4>}	119.3330	0.000	1	119.3330	0.000	1	119.3330	0.000	1	120.3517	0.675	4	118.4319	8.953	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6,6]	4:4:3:3:	4:4:3:1:	4:4:1:	C[3,6]-4:C[3,6]-4:C[6,6]-3:C[6a]-3:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:O-1:	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6,6]C[6,6]O)(C[6a]C[6a]2)	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(O)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6,6]C[6,6]O)(C[6a]C[6a]2){4|C<3>,5|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(O){4|C<3>,4|H<1>}	112.6610	0.243	2	112.6610	0.059	2	112.6610	0.059	2	112.6610	0.059	2	118.4319	8.953	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6,6]	4:4:4:3:	4:4:4:1:	4:4:3:	C[6,6]-4:C[3,6]-4:C[3]-4:C[6,6]-3:	C[3,6,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:C[6]-3:	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2)	C[3,6](C[3,6,6]C[6,6]2C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[6]CC)(C[6]C[6]O)	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]2C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	117.6310	0.000	1	117.6310	0.000	1	117.6310	0.000	1	117.6310	0.000	1	118.4319	8.953	11	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6]	4:4:4:3:	4:4:4:1:	4:3:1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-3:H-1:	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[3,6](C[3,6]C[3,6,6]C[5a]C[6])(C[3,6,6]C[3,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]H)(H)	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,7|H<1>}	C[3,6](C[3,6]C[3,6,6]C[5a]C[6])(C[3,6,6]C[3,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,5|H<1>}	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	114.8905	0.961	2	114.8905	0.923	2	114.8905	0.923	2	114.8905	0.923	2	114.8905	0.923	2	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,3,6]	C[6]	4:4:3:1:	4:4:4:4:	4:2:1:	C[3,3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[3]-4:C[3]-4:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,3,6]C[3,6]C[3]2)(C[3]C[3,3,6]HH)(C[6]O[6]O)(H)	C[3,3,6](C[3,6]C[3]C[6]H)2(C[3]C[3,6]HH)2	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(O)	C[3,6](C[3,3,6]C[3,6]C[3]2)(C[3]C[3,3,6]HH)(C[6]O[6]O)(H){1|C<4>,3|H<1>}	C[3,3,6](C[3,6]C[3]C[6]H)2(C[3]C[3,6]HH)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(O){2|C<4>,4|H<1>}	115.7885	0.787	2	115.7885	0.619	2	115.7885	0.619	2	115.7885	0.619	2	115.7885	0.619	2	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,4,6]	C[6]	4:4:3:3:	4:4:4:1:	4:3:1:	C[3,4,6]-4:O[3,4]-4:C[6]-3:C-3:	C[4,4,6]-4:O[3,4]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,4,6]C[4,4,6]O[3,4]H)(O[3,4]C[3,4,6]C[4,4]H)(C[6]C[6]H)(CC[5a]2)	C[3,4,6](C[4,4,6]C[4,4]C[4,6]H)(O[3,4]C[3,6]C[4,4]H)(C[3,6]O[3,4]C[6]C)(H)	C[6](C[3,6]C[3,4,6]O[3,4]C)(C[6]C[4,6]H)(H)	C[3,6](C[3,4,6]C[4,4,6]O[3,4]H)(O[3,4]C[3,4,6]C[4,4]H)(C[6]C[6]H)(CC[5a]2){1|C<4>,1|H<2>,4|H<1>}	C[3,4,6](C[4,4,6]C[4,4]C[4,6]H)(O[3,4]C[3,6]C[4,4]H)(C[3,6]O[3,4]C[6]C)(H){1|C<3>,1|H<2>,4|H<1>}	C[6](C[3,6]C[3,4,6]O[3,4]C)(C[6]C[4,6]H)(H){1|C<4>,1|C<5>,1|H<2>,3|H<1>}	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6,6]	C[6]	4:4:3:1:	4:4:4:4:	4:2:1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,6]-4:C[6,6]-4:C[5]-4:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,5,6,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]O[6]O)(H)	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(O[6]C[6,6])(O)	C[3,6](C[3,5,6,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]O[6]O)(H){1|O<2>,4|H<1>,6|C<4>}	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(O[6]C[6,6])(O){1|H<1>,5|C<4>}	116.5440	0.000	1	116.5440	0.000	1	116.5440	0.000	1	116.5440	0.000	1	116.5440	0.000	1	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:2:3:1:	4:4:4:2:	4:3:1:	C[3,5,6]-4:O[3]-2:C[6]-3:H-1:	C[4,5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,5,6]C[4,5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H)	C[3,5,6](C[4,5,6]C[4,5,6]C[6]O[4])(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6])	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]C)(O)	C[3,6](C[3,5,6]C[4,5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,5,6](C[4,5,6]C[4,5,6]C[6]O[4])(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	117.5190	0.353	3	117.5190	0.125	3	117.5190	0.125	3	117.5190	0.125	3	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:2:3:1:	4:4:4:2:	4:4:1:	C[3,5,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H)	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6])	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6]){2|C<4>,2|O<1>,3|H<1>}	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	117.0910	0.000	1	117.0910	0.000	1	117.0910	0.000	1	117.0910	0.000	1	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:3:3:1:	3:4:3:4:	4:3:1:	C[3,5,6]-4:N[3,5]-3:C[6]-3:H-1:	C[5,6a]-3:C[3,6]-4:N[3,5]-3:C[6]-4:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H)	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH)	C[6](C[3,6]C[3,5,6]N[3,5]H)(C[6]C[6]C)(H)	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH){2|O<1>,3|H<1>,4|C<3>}	C[6](C[3,6]C[3,5,6]N[3,5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:3:3:4:	4:3:3:3:	4:3:1:	C[3,5,6]-4:P[3,5]-3:C[6]-3:C-4:	C[3,6]-4:N[5,6]-3:P[3,5]-3:C[6]-3:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3)	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C)	C[6](C[3,6]C[3,5,6]P[3,5]C)(C[6]C[6]C)(H)	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3){3|C<3>,3|C<4>}	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,5,6]P[3,5]C)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	113.0150	0.000	1	113.0150	0.000	1	113.0150	0.000	1	113.0150	0.000	1	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:4:3:1:	3:4:4:3:	4:4:1:	C[3,5,6]-4:C[3]-4:C[6]-3:H-1:	C[5,6,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[3]C[3,5,6]CC)(C[6]C[6]O)(H)	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O)	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6,6a]CO)(O)	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[3]C[3,5,6]CC)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6,6a]CO)(O){2|C<4>,3|C<3>}	116.4080	0.000	1	116.4080	0.000	1	116.4080	0.000	1	116.4080	0.000	1	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5,6]C[3,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]Si)(C[6]C[6]H)(H)	C[3,5,6](C[3,5,6]C[3,5]C[3,6]H)(C[3,5]C[3,6]C[5]Si)(C[3,6]C[3,5]C[6]H)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[3,6]H)(H)	C[3,6](C[3,5,6]C[3,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]Si)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[3,5,6](C[3,5,6]C[3,5]C[3,6]H)(C[3,5]C[3,6]C[5]Si)(C[3,6]C[3,5]C[6]H)(H){1|Si<4>,1|C<3>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[3,6]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	119.9275	0.216	2	119.9275	0.047	2	119.9275	0.047	2	119.6018	1.472	5	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H)	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]C)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	117.6260	0.000	1	117.6260	0.000	1	117.6260	0.000	1	119.6018	1.472	5	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]O[5]C)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]Br)(O)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]O[5]C)(H){1|C<3>,1|H<1>,2|O<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]Br)(O){1|C<4>,2|C<3>,2|H<1>}	119.6120	0.000	1	119.6120	0.000	1	119.6120	0.000	1	119.6018	1.472	5	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H)	C[3,5,6](C[5,6]C[6a]C[6]N[5])(C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(O)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H){1|N<3>,2|C<3>,3|H<1>}	C[3,5,6](C[5,6]C[6a]C[6]N[5])(C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(H){1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	120.9160	0.000	1	120.9160	0.000	1	120.9160	0.000	1	119.6018	1.472	5	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:4:3:1:	4:4:4:3:	4:3:4:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-3:	C[3,6]-4:C[6]-3:C-4:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]C)(H)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(CH3)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>}	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:C-4:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5,6]C[3,5]C[5,6]C)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H)	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(CH3)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]C)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	118.6720	0.000	1	118.6720	0.000	1	118.6720	0.000	1	118.6720	0.000	1	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,5,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[5,6]-4:C[3]-4:C[5]-4:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[6]C[6]O)(H)	C[3,5,6](C[3,6]C[3]C[6]H)(C[5,6]C[5]C[6]C)(C[3]C[3,6]HH)(C[5]C[5]HH)	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[3,5,6](C[3,6]C[3]C[6]H)(C[5,6]C[5]C[6]C)(C[3]C[3,6]HH)(C[5]C[5]HH){1|O<1>,2|C<4>,5|H<1>}	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:4:3:3:	4:3:4:4:	4:2:1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:C[6]-4:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH)	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O)	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,4|H<1>,5|C<3>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.8865	0.271	2	115.8865	0.073	2	115.8865	0.073	2	115.8865	0.073	2	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:4:3:3:	4:4:4:3:	4:2:1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-3:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,3|C<3>,7|H<1>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,4|C<3>}	114.8280	0.000	1	114.8280	0.000	1	114.8280	0.000	1	114.8280	0.000	1	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:4:3:3:	4:4:4:4:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,5]C[3,6]H)(C[5]C[3,5]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,5]C[3,6]H)(C[5]C[3,5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	114.3700	0.129	2	114.3700	0.017	2	114.5043	0.062	3	114.5043	0.062	3	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6]	4:4:3:3:	4:4:4:4:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	114.7730	0.000	1	114.7730	0.000	1	114.5043	0.062	3	114.5043	0.062	3	117.1750	4.891	21	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:2:3:1:	4:4:2:3:	4:2:1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	118.4700	0.201	3	118.6065	0.101	4	118.6065	0.101	4	118.6065	0.101	4	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:2:3:1:	4:4:2:3:	4:2:1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	119.0160	0.000	1	118.6065	0.101	4	118.6065	0.101	4	118.6065	0.101	4	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:2:3:1:	4:4:4:2:	4:2:1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	118.8620	0.000	1	118.7603	0.554	9	118.7603	0.554	9	118.7603	0.554	9	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:2:3:1:	4:4:4:2:	4:2:1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	119.9175	0.004	2	118.7603	0.554	9	118.7603	0.554	9	118.7603	0.554	9	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:2:3:1:	4:4:4:2:	4:2:1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	118.2792	0.383	5	118.7603	0.554	9	118.7603	0.554	9	118.7603	0.554	9	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:2:3:1:	4:4:4:2:	4:2:1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	118.7500	0.000	1	118.7603	0.554	9	118.7603	0.554	9	118.7603	0.554	9	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:2:3:1:	4:4:4:2:	4:3:1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2O)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]C)(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2O)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	120.1890	0.000	1	120.1890	0.000	1	120.1890	0.000	1	118.6350	4.830	2	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:2:3:1:	4:4:4:2:	4:3:1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6,6]-3:O-1:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6])(O){1|O<1>,4|C<4>}	117.0810	0.000	1	117.0810	0.000	1	117.0810	0.000	1	118.6350	4.830	2	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:2:3:1:	4:4:4:2:	4:4:1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H){2|H<1>,2|O<2>,4|C<4>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6]){1|O<1>,4|C<4>,6|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	121.7700	0.000	1	121.7700	0.000	1	121.7700	0.000	1	121.5800	0.072	2	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:2:3:1:	4:4:4:2:	4:4:1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(H)	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(H){2|H<1>,2|O<2>,4|C<4>}	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O){1|H<1>,2|C<4>}	121.3900	0.000	1	121.3900	0.000	1	121.3900	0.000	1	121.5800	0.072	2	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:2:3:1:	4:4:4:2:	4:4:3:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6]-4:C[6,6]-4:C-3:	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]C[6,6]C)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]C)(CHH)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]C[6,6]C)(H){3|C<3>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	121.9913	0.362	4	121.9913	0.131	4	121.9913	0.131	4	121.9913	0.131	4	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:2:3:4:	4:4:2:3:	4:4:1:	C[3,6,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3)	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O)	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:4:3:1:	4:4:3:3:	4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6,6]-3:C[6a]-3:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6,6]C[6,6]O)(C[6a]C[6a]2)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6,6]C[6,6]O)(C[6a]C[6a]2){4|C<3>,5|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H){2|H<1>,4|C<3>}	118.6065	0.404	2	118.6065	0.163	2	118.6065	0.163	2	118.6065	0.163	2	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:4:3:1:	4:4:4:1:	4:2:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]O[6]O)(H)	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[3,6]C[3,6]C[6]H)2(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]O[6]O)(H){1|H<1>,1|O<2>,4|C<4>}	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[3,6]C[3,6]C[6]H)2(H){1|O<1>,3|O<2>,4|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(O[6]C[6])(O){2|C<4>,4|H<1>}	119.8290	0.000	1	119.8290	0.000	1	119.8290	0.000	1	119.8290	0.000	1	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(H){2|H<1>,5|C<3>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.4332	0.277	10	118.4332	0.077	10	118.4332	0.077	10	118.4332	0.077	10	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:4:3:1:	4:4:4:3:	4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[3,6]-4:C[6a]-3:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2){5|H<1>,6|C<3>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.1143	0.287	12	120.1143	0.082	12	120.1143	0.082	12	120.1143	0.082	12	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H)	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H){1|O<1>,4|C<4>}	119.0290	0.000	1	119.0290	0.000	1	118.8293	0.140	4	118.8293	0.140	4	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H)	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.2520	0.000	1	119.2520	0.000	1	118.8293	0.140	4	118.8293	0.140	4	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.5180	0.086	2	118.5180	0.007	2	118.8293	0.140	4	118.8293	0.140	4	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(O)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	119.6615	0.821	2	119.6615	0.674	2	119.6615	0.674	2	119.5760	0.359	3	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6,6]-4:O-1:	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6,6]O)(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6,6]C[6,6]C[6]H)(O)	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6,6]O)(H){1|O<2>,4|C<4>,6|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6,6]C[6,6]C[6]H)(O){4|H<1>,5|C<4>}	119.4050	0.000	1	119.4050	0.000	1	119.4050	0.000	1	119.5760	0.359	3	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:4:3:3:	4:4:4:1:	4:3:1:	C[3,6]-4:C[3,6,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[6,6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]C[6,6]S)(H)	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[6,6]C[6,6]HH)(H){2|H<1>,5|C<3>}	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]C[6,6]S)(H){1|C<4>,3|H<1>,4|C<3>}	115.9230	0.000	1	115.9230	0.000	1	115.9230	0.000	1	115.9230	0.000	1	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:4:3:3:	4:4:4:2:	4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6]-4:C[6]-4:O[6]-2:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6a]2O[6])(O[6]C[6])	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]O[6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6a]2O[6])(O[6]C[6]){1|C<4>,5|H<1>,7|C<3>}	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]O[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	112.8030	0.000	1	112.8030	0.000	1	112.8030	0.000	1	112.8030	0.000	1	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:4:3:4:	4:4:4:1:	4:4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:S-4:	C[3,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[3,6,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(C[6,6]C[6]2C)(H)	C[6](C[3,6]C[3,6,6]C[3,6]S)(C[6]C[6]HH)(O)	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(C[6,6]C[6]2C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]S)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	117.0360	0.000	1	117.0360	0.000	1	117.0360	0.000	1	117.0360	0.000	1	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6]	4:4:3:4:	4:4:4:4:	4:4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[6]C[6]HH)(O)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	116.7790	0.000	1	116.7790	0.000	1	116.7790	0.000	1	116.7790	0.000	1	119.1171	2.473	58	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6]	3:4:2:4:	4:4:2:1:	4:3:2:	C[6,6]-3:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-3:O[6]-2:	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]CO)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2)(O[6]C[6])	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3){1|C<3>,1|O<2>,3|C<4>}	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]CO)(O[3]C[3,6])(H){1|C<3>,1|O<1>,1|O<2>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<4>,5|H<1>}	114.2570	0.000	1	114.2570	0.000	1	114.2570	0.000	1	114.2570	0.000	1	118.4793	9.763	7	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6]	3:4:4:3:	4:4:4:1:	4:3:4:	C[6,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-3:C[6]-4:	C[3,6](C[6,6]C[6,6]C[6])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6a]C[6a]2)	C[3,6](C[3,6]C[6,6]C[6a]C[3])(C[3]C[3,6]CH)(C[6]O[6]HH)(H)	C[6,6](C[3,6]C[3,6]C[6a]C[3])(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[3,6](C[6,6]C[6,6]C[6])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3,6](C[3,6]C[6,6]C[6a]C[3])(C[3]C[3,6]CH)(C[6]O[6]HH)(H){1|C<4>,3|C<3>}	C[6,6](C[3,6]C[3,6]C[6a]C[3])(C[6,6]C[6]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	114.0670	0.000	1	114.0670	0.000	1	114.0670	0.000	1	114.0670	0.000	1	118.4793	9.763	7	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6]	4:3:2:1:	4:3:2:1:	4:3:3:	C[3,6]-4:C[6,6]-3:O[3]-2:H-1:	C[3,6]-4:C[6,6]-3:O[3]-2:H-1:	C[3,6]-4:C[6,6]-3:C[6]-3:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H){1|H<1>,1|N<3>,3|C<3>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]N[6])(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	118.8450	0.112	2	118.8450	0.012	2	118.8450	0.012	2	118.8450	0.012	2	118.4793	9.763	7	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6]	4:3:2:1:	4:4:2:1:	4:4:3:	C[3,6]-4:C[6,6]-3:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-3:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H)	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H){1|C<3>,2|H<1>,4|C<4>}	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	121.4420	0.000	1	121.4420	0.000	1	121.4420	0.000	1	121.4420	0.000	1	118.4793	9.763	7	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6]	4:3:4:1:	4:4:4:1:	4:4:3:	C[3,6]-4:C[6,6]-3:C[3]-4:H-1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-3:	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6])(C[3]C[3,6]HH)(H)	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6])(C[3]C[3,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,6|H<1>}	120.9495	0.138	2	120.9495	0.019	2	120.9495	0.019	2	120.9495	0.019	2	118.4793	9.763	7	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:1:	4:3:4:2:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6a]-3:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H)	C[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[3]C[3,6]){4|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	119.4060	0.000	1	119.4060	0.000	1	119.4060	0.000	1	119.4060	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:1:	4:4:2:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]H)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]H)(O){1|C<3>,1|C<4>,1|H<1>}	118.9690	0.000	2	118.9690	0.000	2	118.9690	0.000	2	119.2234	1.624	8	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:1:	4:4:2:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>}	117.9410	0.000	1	117.9410	0.000	1	117.9410	0.000	1	119.2234	1.624	8	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:1:	4:4:2:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(O)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	119.2385	0.930	2	119.2385	0.865	2	119.2385	0.865	2	119.2234	1.624	8	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:1:	4:4:2:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[5,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[5,6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H)	C[3,6](C[5,6,6]C[5,6,6]C[3,6]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6,6]H)(H)	C[3,6](C[3,6]C[5,6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[5,6,6]C[5,6,6]C[3,6]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.7050	0.605	2	118.7050	0.366	2	118.7050	0.366	2	119.2234	1.624	8	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:1:	4:4:2:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H)	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[5,6]C)(O)	C[3,6](C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[5,6]C)(O){2|C<4>,2|H<1>}	122.0210	0.000	1	122.0210	0.000	1	122.0210	0.000	1	119.2234	1.624	8	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:1:	4:4:2:1:	4:4:1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(O){1|C<3>,1|C<4>,1|H<1>}	115.2930	0.000	1	115.2930	0.000	1	115.2930	0.000	1	118.1853	6.293	3	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:1:	4:4:2:1:	4:4:1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(O)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(O){1|C<4>,2|H<1>}	119.6315	0.196	2	119.6315	0.038	2	119.6315	0.038	2	118.1853	6.293	3	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:1:	4:4:2:4:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(O)	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){1|C<3>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(O){1|O<2>,2|C<4>}	119.7860	0.000	1	119.7860	0.000	1	119.7860	0.000	1	119.7860	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:2:	4:2:3:4:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:O-2:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(OC)	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	C[6](C[3,6]C[3,6]O[3]O)(C[6]C[6]H)(O)	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3,6]O[3]O)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>}	119.9725	0.033	2	119.9725	0.001	2	119.9725	0.001	2	119.9725	0.001	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:3:	4:4:2:3:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:C-3:	C[5,6]-4:C[3,6]-4:O[3]-2:C-3:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(COO)	C[3,6](C[5,6]C[3,5]C[5,6]C)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(COO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[5,6]H)(O)	C[3,6](C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(COO){1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[5,6]C[3,5]C[5,6]C)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(COO){1|C<3>,1|O<1>,1|O<2>,1|P<4>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[5,6]H)(O){1|C<3>,1|C<4>,1|P<4>}	118.6890	0.000	1	118.6890	0.000	1	118.6890	0.000	1	118.6890	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:4:	4:2:3:2:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:O[3]-2:C[6]-3:O-2:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(OC)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]N)(O)	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	116.3530	1.165	2	116.3530	1.358	2	116.3530	1.358	2	116.3530	1.358	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:4:	4:4:2:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]Br)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]Br)(O){1|H<1>,2|C<4>}	117.8350	0.000	1	117.8350	0.000	1	117.8182	0.188	5	117.7484	0.151	7	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:4:	4:4:2:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){1|C<3>,1|C<4>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,1|H<1>}	118.2470	0.000	2	117.8140	0.250	4	117.8182	0.188	5	117.7484	0.151	7	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:4:	4:4:2:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){2|C<3>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,1|H<1>}	117.3810	0.000	2	117.8140	0.250	4	117.8182	0.188	5	117.7484	0.151	7	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:4:	4:4:2:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]C)(O)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO){2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	117.3850	0.000	1	117.3850	0.000	1	117.3850	0.000	1	117.7484	0.151	7	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:4:	4:4:2:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO)	C[3,6](C[6,6]C[6,6]O[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]C)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO){1|C<3>,1|C<4>,2|O<2>}	C[3,6](C[6,6]C[6,6]O[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]C)(O){1|C<4>,1|H<1>,1|O<2>}	117.7630	0.000	1	117.7630	0.000	1	117.7630	0.000	1	117.7484	0.151	7	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:2:3:4:	4:4:2:1:	4:4:1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	117.4570	0.158	2	117.4570	0.025	2	117.4570	0.025	2	117.4570	0.025	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:1:	3:4:2:1:	4:4:1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O-1:	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|O<2>,3|C<3>}	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[3,6]C[3,6]O[3]H)(O){1|H<1>,4|C<3>}	113.9110	0.474	2	113.9110	0.224	2	113.9110	0.224	2	113.9110	0.224	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:1:	4:3:2:4:	4:4:1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]O)(O[3]C[3,6])(H){1|O<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O){1|C<4>,1|H<1>,3|C<3>}	123.2362	0.515	4	123.2362	0.265	4	123.2362	0.265	4	123.2362	0.265	4	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:1:	4:4:2:1:	3:4:1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5a,6]-3:C[3,6]-4:O-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5a,6]O)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[5a,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5a,6]O)(O[3]C[3,6])(H){1|C<4>,3|C<3>}	C[3,6](C[6,6]C[5a,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[3,6]C[3,6]O[3]H)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.1010	0.000	1	122.1010	0.000	1	122.1010	0.000	1	122.1010	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:1:	4:4:2:1:	4:3:1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-3:O-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O){3|C<4>,3|H<1>}	119.1598	0.871	4	119.1738	0.527	6	119.1738	0.527	6	119.1738	0.527	6	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:1:	4:4:2:1:	4:3:1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-3:O-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O){2|H<1>,4|C<4>}	119.2020	0.600	2	119.1738	0.527	6	119.1738	0.527	6	119.1738	0.527	6	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:1:	4:4:2:1:	4:4:1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:O-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(O)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(O){1|N<3>,2|C<4>,4|H<1>}	119.8980	0.000	1	119.8980	0.000	1	119.8980	0.000	1	118.5662	0.770	10	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:1:	4:4:2:1:	4:4:1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,5,6]CH)(O[3]C[3,6])(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]O)(O[3]C[3,6])(H){1|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,5,6]CH)(O[3]C[3,6])(H){1|O<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[3,6]C[3,6]O[3]H)(O){3|H<1>,4|C<4>}	119.6135	0.101	2	119.6135	0.010	2	119.6135	0.010	2	118.5662	0.770	10	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:1:	4:4:2:1:	4:4:1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[5,5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[4,6]-4:C[3,6]-4:O-1:	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[4,6]O)(O[3]C[3,6])(H)	C[3,6](C[5,5,6]C[4,5,5,6]C[5]N[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6](C[4,6]C[4,5,5,6]C[4,5]H)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[4,6]O)(O[3]C[3,6])(H){1|H<1>,1|N<3>,3|C<4>}	C[3,6](C[5,5,6]C[4,5,5,6]C[5]N[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,2|H<1>,6|C<4>}	C[6](C[4,6]C[4,5,5,6]C[4,5]H)(C[3,6]C[3,6]O[3]H)(O){1|H<1>,1|O<2>,4|C<4>}	118.5920	0.000	1	118.5920	0.000	1	118.5920	0.000	1	118.5662	0.770	10	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:1:	4:4:2:1:	4:4:1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(H)	C[3,6](C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)2(O)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(H){1|H<1>,2|C<4>,2|O<2>}	C[3,6](C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)2(O){1|C<4>,2|H<1>}	117.6745	0.582	2	117.6745	0.339	2	117.6745	0.339	2	118.5662	0.770	10	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:1:	4:4:2:1:	4:4:1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6,6]-4:C[3,6]-4:O-1:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6,6]O)(O[3]C[3,6])(H)	C[3,6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6,6]O)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3,6]C[3,6]O[3]H)(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	117.9980	0.160	3	117.9980	0.026	3	117.9980	0.026	3	118.5662	0.770	10	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:1:	4:4:2:1:	4:4:1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6](C[6,6]C[6,6]C[6]Br)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|Br<1>,1|O<2>,3|C<4>}	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]Br)(C[3,6]C[3,6]O[3]H)(O){2|C<4>,2|O<2>,3|H<1>}	118.6020	0.000	1	118.6020	0.000	1	118.6020	0.000	1	118.5662	0.770	10	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:1:	4:4:2:4:	4:3:1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:N[6,6]-3:O-1:	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]H)(N[6,6]C[6,6]C[6])(O)	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6,6]O)(O[3]C[3,6])(H){2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3,6]O[3]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,3|C<4>,3|H<1>}	122.3260	0.000	1	122.3260	0.000	1	122.3260	0.000	1	122.3260	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:1:	4:4:2:4:	4:3:2:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6,6]-3:O-2:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3){1|C<3>,1|C<4>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	118.7640	0.356	2	118.7640	0.127	2	118.7640	0.127	2	118.7640	0.127	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:1:	4:4:3:2:	4:3:1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C[6a]-3:O[3]-2:	C[3,6]-4:C[6,6]-3:H-1:	C[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(O[3]C[3,6])	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(H)	C[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(O[3]C[3,6]){1|C<4>,3|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	119.1990	0.000	1	119.1990	0.000	1	119.1990	0.000	1	119.1990	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:2:	4:4:4:2:	3:4:1:	C[3,6]-4:C[6]-3:O[3]-2:O-2:	C[3,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[6]C[6,6a]O)(O[3]C[3,6])(OC)	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]O)(O)	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[6]C[6,6a]O)(O[3]C[3,6])(OC){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]O)(O){1|H<1>,2|C<3>,2|C<4>}	119.6395	0.496	8	119.6395	0.246	8	119.6395	0.246	8	119.6395	0.246	8	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:3:	4:4:2:4:	3:4:1:	C[3,6]-4:C[6]-3:O[3]-2:C-3:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[6,6]-3:C[3,6]-4:H-1:	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6,6]H)(O[3]C[3,6])(CCO)	C[3,6](C[5,6]C[5,6,6]C[5]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(CH3)	C[6](C[6,6]C[5,6,6]C[6])(C[3,6]C[3,6]O[3]C)(H)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6,6]H)(O[3]C[3,6])(CCO){1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[5,6]C[5,6,6]C[5]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[3,6]C[3,6]O[3]C)(H){7|C<4>}	118.1250	0.000	1	118.1250	0.000	1	118.1250	0.000	1	118.1250	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:4:	4:3:2:1:	4:4:1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]O)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]O)(O[3]C[3,6])(H){1|O<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O){1|C<4>,1|H<1>,3|C<3>}	117.8980	0.372	4	117.8980	0.138	4	117.8980	0.138	4	117.8980	0.138	4	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:4:	4:4:2:1:	4:4:1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:O-1:	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH){1|H<1>,2|C<4>,2|O<2>}	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|O<1>,2|C<4>}	C[6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(O){1|O<2>,2|H<1>,3|C<4>}	115.4850	0.000	1	115.4850	0.000	1	115.4850	0.000	1	116.7330	3.115	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:2:4:	4:4:2:1:	4:4:1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO)	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<2>}	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O){1|H<1>,2|C<4>}	117.9810	0.000	1	117.9810	0.000	1	117.9810	0.000	1	116.7330	3.115	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:3:1:	4:3:4:1:	4:3:1:	C[3,6]-4:N[3]-3:C[6]-3:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	118.6780	0.000	1	118.6780	0.000	1	118.6780	0.000	1	118.6780	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:3:1:	4:3:4:1:	4:4:1:	C[3,6]-4:N[3]-3:C[6]-3:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	118.9870	0.000	1	118.9870	0.000	1	118.9870	0.000	1	118.9870	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:3:3:	4:3:2:1:	4:3:1:	C[3,6]-4:C[6]-3:C[6a]-3:N[3]-3:	C[3,6]-4:N[3]-3:O[6]-2:H-1:	C[3,6]-4:C[6,6a]-3:O-1:	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H)	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H)	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H){2|H<1>,4|C<3>}	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H){1|O<1>,4|C<3>}	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	114.7710	0.000	1	114.7710	0.000	1	114.7710	0.000	1	114.7710	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:3:3:	4:3:4:1:	4:4:2:	C[3,6]-4:C[3]-3:C[6]-3:C-3:	C[3,6]-4:C[3]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-4:N-2:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C)(C[6]C[6]N)(COO)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C)(C[6]C[6]N)(COO){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN){1|C<2>,1|C<4>,3|H<1>}	117.0110	0.000	1	117.0110	0.000	1	117.0110	0.000	1	117.0110	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:4:1:	4:3:4:1:	4:3:2:	C[3,6]-4:C[6]-3:C[3]-4:H-1:	C[3,6]-4:N[6]-3:C[3]-4:H-1:	C[3,6]-4:C[6a]-3:N[6]-2:	C[3,6](C[3,6]C[3]N[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(H)	C[3,6](C[3,6]C[3]C[6]H)(N[6]C[6a]C[6])(C[3]C[3,6]CC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(N[6]C[6])	C[3,6](C[3,6]C[3]N[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(H){1|C<4>,3|C<3>}	C[3,6](C[3,6]C[3]C[6]H)(N[6]C[6a]C[6])(C[3]C[3,6]CC)(H){1|C<4>,1|N<2>,4|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	116.2590	0.195	2	116.2590	0.038	2	116.2590	0.038	2	116.2590	0.038	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:3:4:3:	4:4:3:1:	4:3:2:	C[3,6]-4:C[6]-3:C[3]-4:C-3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[6a]-3:N[6]-2:	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(CC[6a]O)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CC)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)(N[6]C[6])	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(CC[6a]O){1|H<1>,3|C<3>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	113.4120	0.000	1	113.4120	0.000	1	113.4120	0.000	1	113.4120	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	3:4:4:1:	4:2:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:N[6]-2:Cl-1:	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]Cl)(H)	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]N[5a,6])(Cl)	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]Cl)(H){1|N<2>,1|N<3>}	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]N[5a,6])(Cl){2|H<1>,3|C<3>}	115.3750	0.252	2	115.3750	0.063	2	115.3750	0.063	2	116.7467	5.676	3	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	3:4:4:1:	4:2:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]B[5]H)(C[6]O[6]O)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]B[5]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(O)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]B[5]H)(C[6]O[6]O)(H){2|C<3>,2|O<2>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]B[5]H)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(O){1|B<3>,2|C<3>,2|H<1>}	119.4900	0.000	1	119.4900	0.000	1	119.4900	0.000	1	116.7467	5.676	3	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	3:4:4:1:	4:2:3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:O[6]-2:C-3:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]O[6]C)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(CHH)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]O[6]C)(H){2|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(CHH){1|H<1>,4|C<3>}	119.8650	0.000	1	119.8650	0.000	1	119.8650	0.000	1	119.8650	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	3:4:4:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]H)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){2|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	116.9460	0.000	1	116.9460	0.000	1	117.2010	0.067	4	117.2010	0.067	4	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	3:4:4:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|F<1>,1|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H){2|H<1>,3|C<3>}	117.3740	0.259	2	117.2860	0.057	3	117.2010	0.067	4	117.2010	0.067	4	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	3:4:4:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H){2|H<1>,3|C<3>}	117.1100	0.000	1	117.2860	0.057	3	117.2010	0.067	4	117.2010	0.067	4	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	3:4:4:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:N[6]-3:C-3:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]C)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]C)(H){1|S<4>,2|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH){2|H<1>,3|C<3>}	116.6420	0.000	1	116.6420	0.000	1	116.6420	0.000	1	116.6420	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:3:4:3:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C[3]-4:C-3:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CC)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(CC[6a]O)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(CC[6a]O){1|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H){1|C<4>,3|C<3>}	116.6500	0.000	1	116.6500	0.000	1	116.6500	0.000	1	116.6500	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	3:4:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:Br-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O)	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H){1|O<1>,6|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O){1|Br<1>,1|H<1>,5|C<3>}	119.0483	0.797	3	119.0483	0.636	3	119.0483	0.636	3	119.1680	0.620	6	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	3:4:1:	C[3]-4:C[3,6]-4:C[6]-3:Br-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br)	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br){1|O<1>,6|C<3>}	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O){2|H<1>,5|C<3>}	119.2877	0.933	3	119.2877	0.870	3	119.2877	0.870	3	119.1680	0.620	6	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H){2|C<3>,3|H<1>}	115.5340	0.000	1	115.5340	0.000	1	116.2213	0.427	3	116.5745	0.571	6	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HP)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HP)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H){1|C<3>,1|P<4>,3|H<1>}	116.5650	0.382	2	116.5650	0.146	2	116.2213	0.427	3	116.5745	0.571	6	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3]-4:C[3,6]-4:C[6]-3:F-1:	C[3]-4:C[3,6]-4:C[6]-3:F-1:	C[3,6]-4:C[6]-3:F-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]F)(F)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]O)(F)	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]F)(F)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]F)(F){1|C<4>,1|F<1>,1|O<1>,2|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]O)(F){1|Cl<1>,2|F<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]F)(F){1|Cl<1>,1|H<1>,2|C<3>,2|F<1>}	117.1605	0.962	2	117.1605	0.926	2	117.1605	0.926	2	116.5745	0.571	6	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	116.4620	0.000	1	116.4620	0.000	1	116.4620	0.000	1	116.5745	0.571	6	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	4:3:2:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:N-2:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]N)(H)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]N)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(NS)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]N)(H){1|H<1>,1|N<2>,5|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]N)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(NS){2|H<1>,3|C<3>}	118.1325	0.037	2	118.1325	0.001	2	118.1325	0.001	2	117.5870	0.893	3	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	4:3:2:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-2:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(OC)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(OC){2|C<3>,3|H<1>}	116.4960	0.000	1	116.4960	0.000	1	116.4960	0.000	1	117.5870	0.893	3	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-3:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]C)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CNO)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CNO){2|C<3>,3|H<1>}	117.3790	0.000	1	117.3790	0.000	1	117.3790	0.000	1	117.3790	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	4:3:4:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]C)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN){2|C<3>,3|H<1>}	119.1870	0.000	1	119.1870	0.000	1	119.1870	0.000	1	119.1870	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:1:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:F-1:	C[3]-4:C[3,6]-4:C[6]-3:F-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]O)(F)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]F)(F)	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]ClF)(O)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]O)(F){1|Cl<1>,2|F<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]F)(F){1|C<4>,1|F<1>,1|O<1>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]ClF)(O){1|H<1>,2|C<3>,2|F<1>}	119.8275	1.368	2	119.8275	1.872	2	119.8275	1.872	2	119.8275	1.872	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:3:	3:4:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H){1|O<1>,6|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O){2|H<1>,5|C<3>}	120.7490	0.000	1	120.7490	0.000	1	120.7490	0.000	1	120.7490	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:4:	4:3:1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,5|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	120.2690	0.000	1	120.2690	0.000	1	120.2690	0.000	1	120.2690	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:4:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O){1|C<4>,1|H<1>,3|C<3>}	123.0408	0.537	4	123.0408	0.289	4	123.0408	0.289	4	122.7621	0.430	7	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:4:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[4,6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[4,6]O)(H)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[4,6]O)(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[4,6]C[4,6]C[4]C)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[4,6]O)(H){1|O<1>,3|C<4>,4|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[4,6]O)(CH3){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[4,6]C[4,6]C[4]C)(O){2|H<1>,3|C<3>,3|C<4>}	122.7830	0.262	2	122.7830	0.068	2	122.7830	0.068	2	122.7621	0.430	7	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:3:4:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	121.6060	0.000	1	121.6060	0.000	1	121.6060	0.000	1	122.7621	0.430	7	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:4:1:	4:2:1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]O[6]O)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(O)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(O){1|C<3>,1|C<4>,4|H<1>}	119.2640	0.000	1	119.2640	0.000	1	119.2640	0.000	1	119.2640	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|N<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	116.1570	0.000	1	116.1570	0.000	1	116.1570	0.000	1	116.8663	1.291	3	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(C[6]C[6]O)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[6,6]C[6,6]2C)(C[3]C[3,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]H)(O)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[6,6]C[6,6]2C)(C[3]C[3,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]H)(O){1|C<3>,1|C<4>,3|H<1>}	118.1770	0.000	1	118.1770	0.000	1	118.1770	0.000	1	116.8663	1.291	3	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]N[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	116.2650	0.000	1	116.2650	0.000	1	116.2650	0.000	1	116.8663	1.291	3	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:4:1:	4:3:4:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[5,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6]-3:C-4:	C[3,6](C[3,6]C[5,6]C[3]H)(C[3]C[3,6]OO)(C[6]C[6]C)(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]OO)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]H)(CH3)	C[3,6](C[3,6]C[5,6]C[3]H)(C[3]C[3,6]OO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]OO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.6910	0.000	1	118.6910	0.000	1	118.6910	0.000	1	118.6910	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]O)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]O)(H){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(O){1|O<2>,4|C<4>,4|H<1>}	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	120.1105	0.466	8	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O){1|C<2>,2|H<1>,3|C<4>}	119.5050	0.000	1	119.5050	0.000	1	119.8900	0.111	3	120.1105	0.466	8	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O){1|C<2>,2|C<4>,3|H<1>}	120.0730	0.000	1	120.0730	0.000	1	119.8900	0.111	3	120.1105	0.466	8	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]O)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,4|H<1>}	120.0920	0.000	1	120.0920	0.000	1	119.8900	0.111	3	120.1105	0.466	8	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:I-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(I)	C[3,6](C[3,6]C[3]C[6]I)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]I)(C[6]C[6]CC)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(I){1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]I)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]I)(C[6]C[6]CC)(O){1|C<4>,5|H<1>}	120.2515	0.967	4	120.2515	0.935	4	120.2515	0.935	4	120.1105	0.466	8	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:4:1:	4:4:3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]C)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]CH)(CCC)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]CH)(CCC){1|C<4>,3|H<1>}	119.2180	0.000	1	119.2180	0.000	1	119.2180	0.000	1	119.2180	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:1:	4:4:4:4:	4:3:4:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-3:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C[6]H)(C[6]C[6]C)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C[6]H)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH){3|C<4>,3|H<1>}	117.0220	0.000	1	117.0220	0.000	1	117.0220	0.000	1	117.0220	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:2:	4:4:4:1:	4:4:2:	C[3,6]-4:C[3]-4:C[6]-3:C-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:N-2:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]N)(CC)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]N)(CC){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN){1|C<3>,1|C<4>,4|H<1>}	117.2680	0.000	1	117.2680	0.000	1	117.2680	0.000	1	117.2680	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:2:	4:4:4:1:	4:4:3:	C[3,6]-4:C[3]-4:C[6]-3:O-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]C)(OC)	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Br2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]C)(OC){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Br2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH){2|Br<1>,1|C<4>,3|H<1>}	118.4620	0.000	1	118.4620	0.000	1	118.3397	0.012	3	118.3397	0.012	3	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:2:	4:4:4:1:	4:4:3:	C[3,6]-4:C[3]-4:C[6]-3:O-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]C)(OC)	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]C)(OC){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH){2|Cl<1>,1|C<4>,3|H<1>}	118.2785	0.047	2	118.2785	0.002	2	118.3397	0.012	3	118.3397	0.012	3	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	3:4:4:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:N-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(NOO)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N)(C[3]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]N)(C[6]C[6,6a]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(NOO){1|H<1>,2|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N)(C[3]C[3,6]CH)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]N)(C[6]C[6,6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.1520	0.332	2	118.1520	0.110	2	118.1520	0.110	2	118.1520	0.110	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:3:4:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[3]H)(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[3]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H){1|C<4>,2|H<1>,4|C<3>}	115.0842	0.432	4	115.0842	0.187	4	115.0842	0.187	4	115.0842	0.187	4	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3]-4:C[3,6]-4:C[6]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[6,6a]-3:O-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H){1|O<1>,6|C<3>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O){3|H<1>,6|C<3>}	116.9350	0.000	1	116.9350	0.000	1	116.9350	0.000	1	116.9350	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:4:4:1:	4:2:1:	C[3,6]-4:C[3]-4:C[6]-3:S-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]O[6]O)(SC[6a]O)	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]O[6]O)(SC[6a]O){1|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O){2|C<4>,4|H<1>}	119.2440	0.000	1	119.2440	0.000	1	119.3590	0.026	2	119.3590	0.026	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:4:4:1:	4:2:1:	C[3,6]-4:C[3]-4:C[6]-3:S-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]O)(SC[6a]O)	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]O)(SC[6a]O){1|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O){1|C<4>,5|H<1>}	119.4740	0.000	1	119.4740	0.000	1	119.3590	0.026	2	119.3590	0.026	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:4:4:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CCO)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CO)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CCO){1|C<3>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	118.0410	0.000	1	118.0410	0.000	1	118.0410	0.000	1	116.3853	9.537	6	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:4:4:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:N-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]N[6]O)(NOO)	C[3,6](C[3,6]C[3]C[6]N)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]N)(N[6]C[6]H)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]N[6]O)(NOO){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]N)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3,6]C[3]N)(N[6]C[6]H)(O){2|C<4>,4|H<1>}	119.6500	0.272	2	119.6500	0.074	2	119.6500	0.074	2	116.3853	9.537	6	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:4:4:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	116.3853	9.537	6	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:4:4:1:	4:3:1:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]CH)(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]CH)(H){1|H<1>,5|C<3>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	112.7700	0.000	1	112.7700	0.000	1	113.5080	1.089	2	116.3853	9.537	6	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:4:4:1:	4:3:1:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]HH)(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]C)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]HH)(H){1|H<1>,5|C<3>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	114.2460	0.000	1	114.2460	0.000	1	113.5080	1.089	2	116.3853	9.537	6	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:4:4:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]O)(COO)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]CC)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]O)(COO){2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]CC)(O){1|C<3>,1|C<4>,4|H<1>}	119.0310	0.000	1	119.0310	0.000	1	119.0310	0.000	1	118.6917	0.086	3	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:4:4:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:N[5]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2)	C[3,6](C[3,6]C[3]C[6]N[5])(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]N[5])(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]N[5])(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]N[5])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	118.5220	0.000	2	118.5220	0.000	2	118.5220	0.000	2	118.6917	0.086	3	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:4:4:1:	4:4:3:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:P[6]-4:C-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]P[6]C)(COO)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]C)(P[6]C[6a]2C[6])(COO)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]P[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(P[6]C[6a]2C[6])(COO){1|C<4>,4|C<3>,5|H<1>}	119.1430	0.000	1	119.1430	0.000	1	119.1430	0.000	1	119.1430	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:4:4:4:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]O)(COO)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	119.4960	0.000	1	119.4960	0.000	1	119.4960	0.000	1	118.2520	3.095	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:3:	4:4:4:4:	4:4:1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]HH)(O)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3){1|C<4>,1|O<1>,1|S<4>,2|C<3>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]HH)(O){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	117.0080	0.000	1	117.0080	0.000	1	117.0080	0.000	1	118.2520	3.095	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:4:	4:4:3:1:	4:3:1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,5|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	115.3080	0.000	1	115.3080	0.000	1	115.3080	0.000	1	115.3080	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:4:	4:4:3:1:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O){1|C<4>,1|H<1>,3|C<3>}	116.4230	0.960	4	116.4230	0.921	4	116.4230	0.921	4	116.5921	0.617	7	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:4:	4:4:3:1:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[4,6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[4,6]O)(CH3)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[4,6]O)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[4,6]C[4,6]C[4]H)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[4,6]O)(CH3){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[4,6]O)(H){1|O<1>,3|C<4>,4|C<3>}	C[6](C[3,6]C[3,6]C[3]C)(C[4,6]C[4,6]C[4]H)(O){2|C<4>,3|C<3>,3|H<1>}	116.9865	0.708	2	116.9865	0.501	2	116.9865	0.501	2	116.5921	0.617	7	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:4:	4:4:3:1:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	116.4800	0.000	1	116.4800	0.000	1	116.4800	0.000	1	116.5921	0.617	7	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:4:	4:4:4:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CC3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CC)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	112.4560	0.000	1	112.4560	0.000	1	112.4560	0.000	1	114.9900	12.842	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:4:	4:4:4:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]O)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]O)(CH3){1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(O){1|C<3>,1|C<4>,4|H<1>}	117.5240	0.000	1	117.5240	0.000	1	117.5240	0.000	1	114.9900	12.842	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:4:	4:4:4:3:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:S-4:	C[3,6]-4:C[3]-4:C[6]-4:C-3:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(COO)	C[6](C[3,6]C[3,6]C[3]S)(C[6]C[6]S)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]S)(C[6]C[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	117.6060	0.000	1	117.6060	0.000	1	117.6060	0.000	1	117.6060	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:4:	4:4:4:4:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]2C[6])(C[3]C[3,6]HH)(C[6]C[6]H)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[3]C[3]2H)(C[6]N[6]HH)	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]2C[6])(C[3]C[3,6]HH)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[3]C[3]2H)(C[6]N[6]HH){1|C<3>,1|S<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H){1|S<4>,2|C<4>,2|H<1>}	115.2590	0.000	1	115.2590	0.000	1	115.2590	0.000	1	115.3530	0.018	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:4:	4:4:4:4:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(CH3){1|N<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|H<1>,1|S<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H){1|S<4>,2|C<4>,2|H<1>}	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	115.3530	0.018	2	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:3:4:	4:4:4:4:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[5,5,6]-4:C[3,6]-4:C[3]-4:C-4:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[5,5,6]C[3]C)(C[3]C[3,6]HH)(C[6]C[6]O)(CH3)	C[3,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[5,5,6]HH)(O)	C[3,6](C[3,6]C[5,5,6]C[3]C)(C[3]C[3,6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[5,5,6]HH)(O){2|H<1>,4|C<4>}	114.5890	0.000	1	114.5890	0.000	1	114.5890	0.000	1	114.5890	0.000	1	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O)	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O){1|I<1>,2|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	116.2180	0.392	2	116.4303	0.212	3	116.4303	0.212	3	116.4303	0.212	3	118.2821	4.743	171	118.2287	4.825	322
486	486	762	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O)	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	116.8550	0.000	1	116.4303	0.212	3	116.4303	0.212	3	116.4303	0.212	3	118.2821	4.743	171	118.2287	4.825	322
486	486	778	3:SP3_SP3_SPD5	C[3,3]	C[3,3]	C[3]	5:5:4:1:	5:5:4:1:	4:4:4:1:1:	C[3]-5:C[3]-5:C[3,3]-4:H-1:	C[3]-5:C[3]-5:C[3,3]-4:H-1:	C[3,3]-4:C[3,3]-4:C-4:H-1:H-1:	C[3,3](C[3]C[3,3]CHH)2(C[3,3]C[3]2H)(H)	C[3,3](C[3]C[3,3]CHH)2(C[3,3]C[3]2H)(H)	C[3](C[3,3]C[3,3]C[3]H)2(CCHH)(H)2	C[3,3](C[3]C[3,3]CHH)2(C[3,3]C[3]2H)(H)	C[3,3](C[3]C[3,3]CHH)2(C[3,3]C[3]2H)(H)	C[3](C[3,3]C[3,3]C[3]H)2(CCHH)(H)2{1|C<4>,2|H<1>}	68.9669	6.666	2	68.9669	44.441	2	68.9669	44.441	2	68.9669	44.441	2	68.9669	44.441	2	68.9669	44.441	2
486	486	786	0:SP3_SP3_SP3	C[3]	C[3]	B[5,5]	4:4:2:1:	4:2:1:1:	4:4:2:2:	B[5,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(H)2	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]HH)(O[3]C[3])(H){2|C<3>,3|C<4>}	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(H)2{1|N<4>,2|O<2>}	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2{2|C<4>,2|O<1>,7|H<1>}	122.2960	0.000	1	122.2960	0.000	1	122.2960	0.000	1	122.2960	0.000	1	121.3653	6.149	11	121.3653	6.149	11
486	486	786	0:SP3_SP3_SP3	C[3]	C[3]	B[5,5]	4:4:2:1:	4:2:4:1:	4:4:2:2:	B[5,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(CH3)(H)	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,3|C<4>}	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(CH3)(H){1|N<4>,2|O<2>}	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2{2|O<1>,3|C<4>,6|H<1>}	123.9300	0.000	1	123.9300	0.000	1	123.9300	0.000	1	123.9300	0.000	1	121.3653	6.149	11	121.3653	6.149	11
486	486	786	0:SP3_SP3_SP3	C[3]	C[3]	B[5,5]	4:4:2:1:	4:3:2:1:	4:4:2:2:	B[5,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:H-1:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	C[3](B[5,5]N[5,5]O[5]2)(C[3]C[6a]O[3]H)(O[3]C[3])(H)	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2	C[3](B[5,5]N[5,5]O[5]2)(C[3]C[6a]O[3]H)(O[3]C[3])(H){3|C<4>,4|C<3>}	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){1|N<4>,2|C<3>,2|H<1>,2|O<2>}	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2{1|C<3>,2|C<4>,2|O<1>,6|H<1>}	124.2890	0.000	1	124.2890	0.000	1	124.2890	0.000	1	124.2890	0.000	1	121.3653	6.149	11	121.3653	6.149	11
486	486	786	0:SP3_SP3_SP3	C[3]	C[3]	B[5,5]	4:4:4:1:	4:4:1:1:	4:4:2:2:	B[5,5]-4:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	C[3](B[5,5]N[5,5]O[5]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]B[5,5]C[3]H)(C[3]C[3]CH)(H)2	B[5,5](N[5,5]C[5]2C)(C[3]C[3]2H)(O[5]C[5])2	C[3](B[5,5]N[5,5]O[5]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,3|C<4>}	C[3](C[3]B[5,5]C[3]H)(C[3]C[3]CH)(H)2{1|N<4>,2|O<2>}	B[5,5](N[5,5]C[5]2C)(C[3]C[3]2H)(O[5]C[5])2{1|C<4>,2|O<1>,7|H<1>}	121.3705	3.300	4	121.3705	10.893	4	121.3705	10.893	4	121.3705	10.893	4	121.3653	6.149	11	121.3653	6.149	11
486	486	786	0:SP3_SP3_SP3	C[3]	C[3]	B[5,5]	4:4:4:1:	4:4:4:1:	4:4:2:2:	B[5,5]-4:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	C[3](B[5,5]N[5,5]O[5]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]B[5,5]C[3]H)(C[3]C[3]HH)(CF3)(H)	B[5,5](N[5,5]C[5]2C)(C[3]C[3]2H)(O[5]C[5])2	C[3](B[5,5]N[5,5]O[5]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,3|C<4>}	C[3](C[3]B[5,5]C[3]H)(C[3]C[3]HH)(CF3)(H){1|N<4>,2|O<2>}	B[5,5](N[5,5]C[5]2C)(C[3]C[3]2H)(O[5]C[5])2{1|C<4>,2|O<1>,7|H<1>}	119.7552	0.903	4	119.7552	0.816	4	119.7552	0.816	4	119.7552	0.816	4	121.3653	6.149	11	121.3653	6.149	11
486	486	790	0:SP3_SP-NON_SP3	C[3,5,6]	C[3,5,6]	Cl	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:Cl-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[3,5,6]-4:	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HO)(Cl)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HO)(H)	Cl(C[3,5,6]C[3,5,6]C[5,5,6]C[3])	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HO)(Cl){5|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HO)(H){5|C<3>}	Cl(C[3,5,6]C[3,5,6]C[5,5,6]C[3])	121.7500	0.000	1	121.7500	0.000	1	121.4860	0.139	2	121.4860	0.139	2	121.4860	0.139	2	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3,5,6]	C[3,5,6]	Cl	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:Cl-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[3,5,6]-4:	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(Cl)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HS)(H)	Cl(C[3,5,6]C[3,5,6]C[5,5,6]C[3])	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(Cl){5|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HS)(H){5|C<3>}	Cl(C[3,5,6]C[3,5,6]C[5,5,6]C[3])	121.2220	0.000	1	121.2220	0.000	1	121.4860	0.139	2	121.4860	0.139	2	121.4860	0.139	2	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3,5,6]	C[3]	Cl	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:Cl-1:	C[3,5,6]-4:C[3,5,6]-4:O-2:H-1:	C[3,5,6]-4:	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HO)(Cl)	C[3](C[3,5,6]C[3,5,6]C[5,5,6]Cl)(C[3,5,6]C[3,5,6]C[5,5,6]H)(OC)(H)	Cl(C[3,5,6]C[3,5,6]C[5,5,6]C[3])	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HO)(Cl){5|C<3>}	C[3](C[3,5,6]C[3,5,6]C[5,5,6]Cl)(C[3,5,6]C[3,5,6]C[5,5,6]H)(OC)(H){1|O<2>,4|C<3>}	Cl(C[3,5,6]C[3,5,6]C[5,5,6]C[3])	120.8160	0.000	1	120.8160	0.000	1	120.8160	0.000	1	121.5595	1.106	2	121.5595	1.106	2	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3,5,6]	C[3]	Cl	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:Cl-1:	C[3,5,6]-4:C[3,5,6]-4:S-2:H-1:	C[3,5,6]-4:	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(Cl)	C[3](C[3,5,6]C[3,5,6]C[5,5,6]Cl)(C[3,5,6]C[3,5,6]C[5,5,6]H)(SC[6a])(H)	Cl(C[3,5,6]C[3,5,6]C[5,5,6]C[3])	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(Cl){5|C<3>}	C[3](C[3,5,6]C[3,5,6]C[5,5,6]Cl)(C[3,5,6]C[3,5,6]C[5,5,6]H)(SC[6a])(H){1|O<2>,4|C<3>}	Cl(C[3,5,6]C[3,5,6]C[5,5,6]C[3])	122.3030	0.000	1	122.3030	0.000	1	122.3030	0.000	1	121.5595	1.106	2	121.5595	1.106	2	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,4]	Cl	4:4:1:1:	4:4:4:3:	4:	C[3,4]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[4]-4:N[4]-3:	C[3]-4:	C[3](C[3,4]C[3]C[4]N[4])(C[3]C[3,4]HH)(Cl)2	C[3,4](C[3]C[3]Cl2)(C[3]C[3]HH)(C[4]N[4]HH)(N[4]N[4]C)	Cl(C[3]C[3,4]C[3]Cl)	C[3](C[3,4]C[3]C[4]N[4])(C[3]C[3,4]HH)(Cl)2{1|C<3>,1|N<3>,2|H<1>}	C[3,4](C[3]C[3]Cl2)(C[3]C[3]HH)(C[4]N[4]HH)(N[4]N[4]C){1|C<3>}	Cl(C[3]C[3,4]C[3]Cl)	118.1215	1.743	2	118.1215	3.038	2	118.1215	3.038	2	118.1215	3.038	2	118.1215	3.038	2	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,5,6,6]	Cl	4:4:1:1:	4:4:4:3:	4:	C[3,5,6,6]-4:C[3,6,6]-4:Cl-1:H-1:	C[3,6,6]-4:C[3]-4:C[5,6]-4:N[5,6]-3:	C[3]-4:	C[3](C[3,5,6,6]C[3,6,6]C[5,6]N[5,6])(C[3,6,6]C[3,5,6,6]C[6]2)(Cl)(H)	C[3,5,6,6](C[3,6,6]C[3]C[6]2)(C[3]C[3,6,6]ClH)(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])	Cl(C[3]C[3,5,6,6]C[3,6,6]H)	C[3](C[3,5,6,6]C[3,6,6]C[5,6]N[5,6])(C[3,6,6]C[3,5,6,6]C[6]2)(Cl)(H){1|C<3>,4|H<1>,6|C<4>}	C[3,5,6,6](C[3,6,6]C[3]C[6]2)(C[3]C[3,6,6]ClH)(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6]){10|H<1>,1|O<1>,2|C<4>}	Cl(C[3]C[3,5,6,6]C[3,6,6]H)	122.2290	0.000	1	122.2290	0.000	1	122.2290	0.000	1	122.2290	0.000	1	122.2290	0.000	1	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,5,6]	Cl	4:4:1:1:	4:4:4:3:	4:	C[3,5,6]-4:C[3,5,6]-4:Cl-1:Cl-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[3]-4:	C[3](C[3,5,6]C[3,5,6]C[5]C[6])2(Cl)2	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H)	Cl(C[3]C[3,5,6]2Cl)	C[3](C[3,5,6]C[3,5,6]C[5]C[6])2(Cl)2{1|C<4>,2|C<3>,6|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	Cl(C[3]C[3,5,6]2Cl)	119.7005	0.920	2	119.8978	0.584	4	119.8978	0.584	4	119.8978	0.584	4	120.0540	0.989	13	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,5,6]	Cl	4:4:1:1:	4:4:4:3:	4:	C[3,5,6]-4:C[3,5,6]-4:Cl-1:Cl-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[3]-4:	C[3](C[3,5,6]C[3,5,6]C[5]C[6])2(Cl)2	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H)	Cl(C[3]C[3,5,6]2Cl)	C[3](C[3,5,6]C[3,5,6]C[5]C[6])2(Cl)2{1|C<4>,2|C<3>,6|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>}	Cl(C[3]C[3,5,6]2Cl)	120.0950	0.865	2	119.8978	0.584	4	119.8978	0.584	4	119.8978	0.584	4	120.0540	0.989	13	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,5,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[3,5,6]-4:Cl-1:Cl-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[3]-4:	C[3](C[3,5,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6])(Cl)2	C[3,5,6](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5,6]HH)(C[6]C[3,6]HH)	Cl(C[3]C[3,5,6]2Cl)	C[3](C[3,5,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6])(Cl)2{4|C<4>,7|H<1>}	C[3,5,6](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5,6]HH)(C[6]C[3,6]HH){4|C<4>,5|H<1>}	Cl(C[3]C[3,5,6]2Cl)	121.1060	0.000	1	121.1060	0.000	1	121.1060	0.000	1	120.1234	1.247	9	120.0540	0.989	13	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,5,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[3,5,6]-4:Cl-1:Cl-1:	C[3,5,6]-4:C[5,6]-4:C[3]-4:C[6]-4:	C[3]-4:	C[3](C[3,5,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6])(Cl)2	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[3]C[3,5,6]Cl2)(C[6]C[3,6]HH)	Cl(C[3]C[3,5,6]2Cl)	C[3](C[3,5,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6])(Cl)2{4|C<4>,7|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[3]C[3,5,6]Cl2)(C[6]C[3,6]HH){1|O<2>,4|C<4>,7|H<1>}	Cl(C[3]C[3,5,6]2Cl)	119.8780	1.734	2	119.8780	3.006	2	119.8780	3.006	2	120.1234	1.247	9	120.0540	0.989	13	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,5,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[3]-4:Cl-1:Cl-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:C[3]-4:	C[3]-4:	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]ClH)(Cl)2	C[3,5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(C[3]C[3]Cl2)(C[3]C[3]ClH)	Cl(C[3]C[3,5,6]C[3]Cl)	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]ClH)(Cl)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(C[3]C[3]Cl2)(C[3]C[3]ClH){1|C<3>,1|C<4>,3|H<1>}	Cl(C[3]C[3,5,6]C[3]Cl)	119.6093	1.043	4	119.6093	1.087	4	119.6093	1.087	4	120.1234	1.247	9	120.0540	0.989	13	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,5,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[3]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:C[3]-4:	C[3]-4:	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]Cl2)(Cl)(H)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(C[3]C[3]Cl2)(C[3]C[3]ClH)	Cl(C[3]C[3,5,6]C[3]H)	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]Cl2)(Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(C[3]C[3]Cl2)(C[3]C[3]ClH){1|C<3>,1|C<4>,3|H<1>}	Cl(C[3]C[3,5,6]C[3]H)	120.9060	0.585	2	120.9060	0.343	2	120.9060	0.343	2	120.1234	1.247	9	120.0540	0.989	13	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,5]	Cl	4:4:1:1:	4:4:4:3:	4:	C[3,5]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	C[3]-4:	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(Cl)2	C[3,5](C[3]C[3]Cl2)(C[3]C[3]HH)(C[5]N[5]HH)(N[5]C[5]C)	Cl(C[3]C[3,5]C[3]Cl)	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(Cl)2{1|N<3>,2|C<3>,2|H<1>}	C[3,5](C[3]C[3]Cl2)(C[3]C[3]HH)(C[5]N[5]HH)(N[5]C[5]C){1|C<3>,1|O<1>}	Cl(C[3]C[3,5]C[3]Cl)	121.6405	2.534	2	121.6405	6.419	2	121.6405	6.419	2	121.6405	6.419	2	121.0215	3.497	4	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,5]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-4:	C[3]-4:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(Cl)2	C[3,5](C[3]C[3]Cl2)(C[3]C[3]CC)(C[5]C[5]CH)(C[5]C[5]HH)	Cl(C[3]C[3,5]C[3]Cl)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[3]C[3]Cl2)(C[3]C[3]CC)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<1>}	Cl(C[3]C[3,5]C[3]Cl)	120.4025	1.593	2	120.4025	2.538	2	120.4025	2.538	2	120.4025	2.538	2	121.0215	3.497	4	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,5,6,6]-4:C[3,6,6]-4:Cl-1:H-1:	C[3,5,6,6]-4:C[3]-4:C[6]-4:C[6]-4:	C[3]-4:	C[3](C[3,5,6,6]C[3,6,6]C[5,6]N[5,6])(C[3,6,6]C[3,5,6,6]C[6]2)(Cl)(H)	C[3,6,6](C[3,5,6,6]C[5,6]N[5,6]C[3])(C[3]C[3,5,6,6]ClH)(C[6]C[6]HH)2	Cl(C[3]C[3,5,6,6]C[3,6,6]H)	C[3](C[3,5,6,6]C[3,6,6]C[5,6]N[5,6])(C[3,6,6]C[3,5,6,6]C[6]2)(Cl)(H){1|C<3>,4|H<1>,6|C<4>}	C[3,6,6](C[3,5,6,6]C[5,6]N[5,6]C[3])(C[3]C[3,5,6,6]ClH)(C[6]C[6]HH)2{1|C<3>,4|C<4>,4|H<1>}	Cl(C[3]C[3,5,6,6]C[3,6,6]H)	120.3220	0.000	1	120.3220	0.000	1	120.3220	0.000	1	120.3220	0.000	1	120.3220	0.000	1	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	3:4:4:1:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]N[6])(C[3,6]C[6,6a]C[3,6]H)(Cl)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N[6])(C[3]C[3,6]Cl2)(H)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]N[6])(C[3,6]C[6,6a]C[3,6]H)(Cl)2{2|C<3>,2|H<1>,3|C<4>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N[6])(C[3]C[3,6]Cl2)(H){2|C<3>,3|C<4>,3|H<1>}	Cl(C[3]C[3,6]2Cl)	118.6945	1.174	4	118.6945	1.379	4	118.6945	1.379	4	118.6945	1.379	4	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	3:4:4:3:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-3:	C[3]-4:	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(N[6]C[6]2)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(Cl)2{2|C<3>,2|H<1>,3|C<4>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(N[6]C[6]2){2|C<3>,3|C<4>,7|H<1>}	Cl(C[3]C[3,6]2Cl)	119.2785	0.441	2	119.2785	0.194	2	119.2785	0.194	2	119.2785	0.194	2	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:2:4:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:O[6]-2:C-4:	C[3]-4:	C[3](C[3,6]C[3,6]O[6]C)(C[3,6]C[3,6]S[6]C)(Cl)2	C[3,6](C[3,6]C[3]S[6]C)(C[3]C[3,6]Cl2)(O[6]C[6])(CH3)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]O[6]C)(C[3,6]C[3,6]S[6]C)(Cl)2{2|C<4>,2|O<1>}	C[3,6](C[3,6]C[3]S[6]C)(C[3]C[3,6]Cl2)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|O<1>}	Cl(C[3]C[3,6]2Cl)	119.3090	0.416	2	119.3090	0.173	2	119.3090	0.173	2	119.3090	0.173	2	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:3:2:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-3:O-2:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]C)(OC)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2{1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]C)(OC){1|C<4>,4|H<1>}	Cl(C[3]C[3,6]2Cl)	118.8347	1.133	4	118.8347	1.285	4	118.8347	1.285	4	118.8347	1.285	4	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{3|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	Cl(C[3]C[3,6]2Cl)	118.7045	2.365	2	119.7155	11.488	10	119.4579	4.966	34	119.4098	4.459	41	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{3|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	Cl(C[3]C[3,6]2Cl)	119.9682	3.689	8	119.7155	11.488	10	119.4579	4.966	34	119.4098	4.459	41	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{2|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H){2|H<1>,3|C<4>}	Cl(C[3]C[3,6]2Cl)	119.1243	0.578	4	119.1243	0.334	4	119.4579	4.966	34	119.4098	4.459	41	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	Cl(C[3]C[3,6]2Cl)	119.4835	4.330	2	119.7588	5.978	6	119.4579	4.966	34	119.4098	4.459	41	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{3|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	Cl(C[3]C[3,6]2Cl)	119.8965	1.908	4	119.7588	5.978	6	119.4579	4.966	34	119.4098	4.459	41	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{2|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	Cl(C[3]C[3,6]2Cl)	119.2600	3.773	2	119.2600	14.236	2	119.4579	4.966	34	119.4098	4.459	41	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(H)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2{2|C<3>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	Cl(C[3]C[3,6]2Cl)	118.5190	0.474	2	118.5190	0.224	2	119.4579	4.966	34	119.4098	4.459	41	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2{1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	Cl(C[3]C[3,6]2Cl)	119.5350	1.293	4	119.5350	1.671	4	119.4579	4.966	34	119.4098	4.459	41	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]H)2(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6,6a]HH)(H)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]H)2(Cl)2{2|C<3>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6,6a]HH)(H){2|C<3>,2|H<1>}	Cl(C[3]C[3,6]2Cl)	119.1933	1.169	4	119.1933	1.366	4	119.4579	4.966	34	119.4098	4.459	41	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(Cl)2{2|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	Cl(C[3]C[3,6]2Cl)	119.4460	1.488	2	119.4460	2.213	2	119.4579	4.966	34	119.4098	4.459	41	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[6]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2	C[3,6](C[3,6]C[3]C[6]O)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(H)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2{2|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]O)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(H){2|H<1>,3|C<4>}	Cl(C[3]C[3,6]2Cl)	118.8090	1.086	2	118.8090	1.180	2	118.8090	1.180	2	119.4098	4.459	41	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)(Cl)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(H)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)(Cl)2{3|C<4>,3|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(H){1|C<3>,2|H<1>,5|C<4>}	Cl(C[3]C[3,6]2Cl)	119.1333	1.980	4	119.1333	3.922	4	119.1333	3.922	4	119.4098	4.459	41	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[3,6]-4:Cl-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:	C[3](C[3,6]C[5,6,6]C[3,6]C)(C[3,6]C[3,6]C[6]H)(Cl)(H)	C[3,6](C[3,6]C[5,6,6]C[3]C)(C[3]C[3,6]ClH)(C[6]C[6]HH)(H)	Cl(C[3]C[3,6]2H)	C[3](C[3,6]C[5,6,6]C[3,6]C)(C[3,6]C[3,6]C[6]H)(Cl)(H){1|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[5,6,6]C[3]C)(C[3]C[3,6]ClH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	Cl(C[3]C[3,6]2H)	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	119.4098	4.459	41	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:2:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:O-2:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(OC)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2{2|C<3>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	Cl(C[3]C[3,6]2Cl)	119.8450	1.242	2	119.8450	1.542	2	119.8450	1.542	2	119.5888	0.837	4	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:2:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[6]-4:C[3]-4:O-2:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(OC)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2{2|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(OC){2|H<1>,3|C<4>}	Cl(C[3]C[3,6]2Cl)	119.3325	0.841	2	119.3325	0.707	2	119.3325	0.707	2	119.5888	0.837	4	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:3:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:N[6]-3:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]N[6])(C[3,6]C[6,6a]C[3,6]H)(Cl)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(N[6]C[6]2)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]N[6])(C[3,6]C[6,6a]C[3,6]H)(Cl)2{2|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(N[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	Cl(C[3]C[3,6]2Cl)	120.0060	0.946	4	120.0060	0.895	4	120.0060	0.895	4	120.0060	0.895	4	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3]-4:	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)(Cl)2	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)(Cl)2{3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	Cl(C[3]C[3,6]2Cl)	120.2542	1.011	4	120.2542	1.021	4	119.9852	1.885	29	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CCCH)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{2|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CCCH){2|C<4>,3|H<1>}	Cl(C[3]C[3,6]2Cl)	120.0910	1.346	2	120.0910	1.813	2	119.9852	1.885	29	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{2|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3){2|C<4>,3|H<1>}	Cl(C[3]C[3,6]2Cl)	119.6680	0.503	2	119.6680	0.253	2	119.9852	1.885	29	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CCHH)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{2|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	Cl(C[3]C[3,6]2Cl)	119.8120	1.133	2	119.8120	1.283	2	119.9852	1.885	29	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	Cl(C[3]C[3,6]2Cl)	120.2325	2.815	2	120.0184	3.155	15	119.9852	1.885	29	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{3|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	Cl(C[3]C[3,6]2Cl)	119.9855	1.735	13	120.0184	3.155	15	119.9852	1.885	29	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]C)2(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]C[6]C)2(Cl)2{2|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	Cl(C[3]C[3,6]2Cl)	119.7837	0.695	4	119.7837	0.483	4	119.9852	1.885	29	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:S[6]-4:C-4:	C[3]-4:	C[3](C[3,6]C[3,6]O[6]C)(C[3,6]C[3,6]S[6]C)(Cl)2	C[3,6](C[3,6]C[3]O[6]C)(C[3]C[3,6]Cl2)(S[6]C[6]OO)(CH3)	Cl(C[3]C[3,6]2Cl)	C[3](C[3,6]C[3,6]O[6]C)(C[3,6]C[3,6]S[6]C)(Cl)2{2|C<4>,2|O<1>}	C[3,6](C[3,6]C[3]O[6]C)(C[3]C[3,6]Cl2)(S[6]C[6]OO)(CH3){1|C<4>,2|H<1>}	Cl(C[3]C[3,6]2Cl)	119.7460	1.083	2	119.7460	1.174	2	119.7460	1.174	2	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:Cl-1:H-1:	C[5,6,6]-4:C[3,6]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3,6]C[5,6,6]C[3,6]C)(C[3,6]C[3,6]C[6]H)(Cl)(H)	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]ClH)(CH3)	Cl(C[3]C[3,6]2H)	C[3](C[3,6]C[5,6,6]C[3,6]C)(C[3,6]C[3,6]C[6]H)(Cl)(H){1|C<3>,2|C<4>,3|H<1>}	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]ClH)(CH3){2|C<3>,2|C<4>,4|H<1>}	Cl(C[3]C[3,6]2H)	120.5160	0.000	1	120.5160	0.000	1	120.5160	0.000	1	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>}	Cl(C[3]C[3,6]C[3]Cl)	119.9105	0.995	2	120.4146	0.573	36	120.4146	0.573	36	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	Cl(C[3]C[3,6]C[3]Cl)	120.2685	0.490	2	120.4146	0.573	36	120.4146	0.573	36	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>}	Cl(C[3]C[3,6]C[3]Cl)	120.1890	0.516	2	120.4146	0.573	36	120.4146	0.573	36	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	Cl(C[3]C[3,6]C[3]Cl)	120.7353	1.189	4	120.4146	0.573	36	120.4146	0.573	36	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>}	Cl(C[3]C[3,6]C[3]Cl)	120.5150	0.366	2	120.4146	0.573	36	120.4146	0.573	36	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>}	Cl(C[3]C[3,6]C[3]Cl)	120.1723	0.609	6	120.4146	0.573	36	120.4146	0.573	36	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	Cl(C[3]C[3,6]C[3]Cl)	120.4640	0.819	4	120.4146	0.573	36	120.4146	0.573	36	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>}	Cl(C[3]C[3,6]C[3]Cl)	120.2330	0.679	4	120.4146	0.573	36	120.4146	0.573	36	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|H<1>,2|C<3>}	Cl(C[3]C[3,6]C[3]Cl)	120.4470	1.416	2	120.4146	0.573	36	120.4146	0.573	36	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|B<3>,1|C<4>,3|H<1>}	Cl(C[3]C[3,6]C[3]Cl)	120.6433	0.909	6	120.4146	0.573	36	120.4146	0.573	36	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	Cl(C[3]C[3,6]C[3]Cl)	120.8220	0.772	2	120.4146	0.573	36	120.4146	0.573	36	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	Cl(C[3]C[3,6]C[3]Cl)	120.3350	2.434	2	120.7396	2.829	14	120.7396	2.829	14	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	Cl(C[3]C[3,6]C[3]Cl)	120.5478	1.308	6	120.7396	2.829	14	120.7396	2.829	14	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	Cl(C[3]C[3,6]C[3]Cl)	121.0662	2.055	6	120.7396	2.829	14	120.7396	2.829	14	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[6]-4:C[6]-4:C[3]-4:C[3]-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(Cl)2	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(Cl)2{2|C<4>,4|H<1>}	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH){1|H<1>,4|C<4>}	Cl(C[3]C[3,6]C[3]Cl)	119.7945	0.710	4	119.7945	0.504	4	119.7945	0.504	4	120.2795	1.412	86	119.9014	2.373	147	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:2:3:1:	4:3:2:1:	4:	C[3]-4:O[3]-2:C-3:Cl-1:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(Cl)	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	Cl(C[3]C[3]O[3]C)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(Cl){2|C<3>}	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	Cl(C[3]C[3]O[3]C)	120.4830	0.614	2	120.4830	0.377	2	120.3217	0.266	3	120.3217	0.266	3	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:2:3:1:	4:3:2:1:	4:	C[3]-4:O[3]-2:C-3:Cl-1:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(Cl)	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	Cl(C[3]C[3]O[3]C)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(Cl){2|C<3>}	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	Cl(C[3]C[3]O[3]C)	119.9990	0.000	1	119.9990	0.000	1	120.3217	0.266	3	120.3217	0.266	3	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:3:1:1:	3:4:3:1:	4:	C[3]-4:N[3]-3:Cl-1:H-1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(Cl)(H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H)	Cl(C[3]C[3]N[3]H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(Cl)(H){2|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H){1|H<1>,3|C<3>}	Cl(C[3]C[3]N[3]H)	122.1740	0.000	1	122.1740	0.000	1	122.1740	0.000	1	122.1740	0.000	1	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:3:1:1:	3:4:3:4:	4:	C[3]-4:N[3]-3:Cl-1:Cl-1:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[3]-4:	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH)	Cl(C[3]C[3]N[3]Cl)	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2{4|C<3>}	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	Cl(C[3]C[3]N[3]Cl)	120.6965	0.175	2	120.6965	0.031	2	120.6617	0.012	4	120.6617	0.012	4	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:3:1:1:	3:4:3:4:	4:	C[3]-4:N[3]-3:Cl-1:Cl-1:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[3]-4:	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH)	Cl(C[3]C[3]N[3]Cl)	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2{4|C<3>}	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH){2|H<1>,4|C<3>}	Cl(C[3]C[3]N[3]Cl)	120.6270	0.018	2	120.6270	0.000	2	120.6617	0.012	4	120.6617	0.012	4	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:3:3:1:	4:3:3:1:	4:	C[3]-4:N[3]-3:C-3:Cl-1:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]O)(Cl)	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	Cl(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]O)(Cl){2|C<3>}	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	Cl(C[3]C[3]N[3]C)	119.4713	1.380	3	119.4713	1.903	3	119.4713	1.903	3	119.4713	1.903	3	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:3:4:1:	4:3:3:1:	4:	C[3]-4:N[3]-3:C-4:Cl-1:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl)	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	Cl(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl){2|C<3>}	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	Cl(C[3]C[3]N[3]C)	118.0510	0.000	1	118.0510	0.000	1	118.0510	0.000	1	118.0510	0.000	1	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	3:4:4:1:	4:	C[3]-4:C[3]-4:Cl-1:H-1:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(Cl)(H)	C[3](C[5a]C[5a]S[5a])(C[3]C[3]ClH)(C[3]C[3]HH)(H)	Cl(C[3]C[3]2H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(Cl)(H){1|C<3>,1|S<2>}	C[3](C[5a]C[5a]S[5a])(C[3]C[3]ClH)(C[3]C[3]HH)(H){1|H<1>,2|C<3>}	Cl(C[3]C[3]2H)	119.4140	0.000	1	119.4140	0.000	1	119.4140	0.000	1	119.4140	0.000	1	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:3:3:4:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH)	Cl(C[3]C[3]2Cl)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(Cl)2{4|C<3>}	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH){1|Cl<1>,3|H<1>,4|C<3>}	Cl(C[3]C[3]2Cl)	119.0640	1.140	4	119.0640	1.299	4	119.0640	1.299	4	119.0640	1.299	4	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:3:4:1:	4:	C[3]-4:C[3]-4:Cl-1:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(Cl)(H)	C[3](C[3]C[3]ClH)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	Cl(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(Cl)(H){2|C<3>}	C[3](C[3]C[3]ClH)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	Cl(C[3]C[3]2H)	119.6850	0.000	1	119.6850	0.000	1	119.6850	0.000	1	119.6850	0.000	1	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:3:4:3:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[5]O)	Cl(C[3]C[3]2Cl)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(Cl)2{2|C<3>}	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[5]O){2|C<3>,2|H<1>}	Cl(C[3]C[3]2Cl)	119.3305	0.726	2	119.3305	0.527	2	119.4983	0.822	6	119.4983	0.822	6	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:3:4:3:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[6]O)	Cl(C[3]C[3]2Cl)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(Cl)2{2|C<3>}	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[6]O){2|C<3>,2|H<1>}	Cl(C[3]C[3]2Cl)	119.5823	1.080	4	119.5823	1.166	4	119.4983	0.822	6	119.4983	0.822	6	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3,4]-4:C[3]-4:Cl-1:Cl-1:	C[3,4]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3,4]C[3]C[4]N[4])(C[3]C[3,4]HH)(Cl)2	C[3](C[3,4]C[3]C[4]N[4])(C[3]C[3,4]Cl2)(H)2	Cl(C[3]C[3,4]C[3]Cl)	C[3](C[3,4]C[3]C[4]N[4])(C[3]C[3,4]HH)(Cl)2{1|C<3>,1|N<3>,2|H<1>}	C[3](C[3,4]C[3]C[4]N[4])(C[3]C[3,4]Cl2)(H)2{1|C<3>,1|N<3>,2|H<1>}	Cl(C[3]C[3,4]C[3]Cl)	118.8750	0.031	2	118.8750	0.001	2	118.8750	0.001	2	119.0534	1.552	50	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,5,6]-4:C[3]-4:Cl-1:H-1:	C[3]-4:	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]ClH)(Cl)2	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]Cl2)(Cl)(H)	Cl(C[3]C[3,5,6]C[3]Cl)	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]ClH)(Cl)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]Cl2)(Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Cl(C[3]C[3,5,6]C[3]Cl)	118.9287	1.510	3	118.9287	2.281	3	118.9287	2.281	3	119.0534	1.552	50	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[3]-4:Cl-1:H-1:	C[3,5,6]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]Cl2)(Cl)(H)	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]ClH)(Cl)2	Cl(C[3]C[3,5,6]C[3]H)	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]Cl2)(Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]ClH)(Cl)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Cl(C[3]C[3,5,6]C[3]H)	120.9270	0.305	2	120.9270	0.093	2	120.9270	0.093	2	119.0534	1.552	50	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[3]-4:Cl-1:Cl-1:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(Cl)2	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]Cl2)(H)2	Cl(C[3]C[3,5]C[3]Cl)	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(Cl)2{1|N<3>,2|C<3>,2|H<1>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]Cl2)(H)2{1|N<3>,2|C<3>,2|H<1>}	Cl(C[3]C[3,5]C[3]Cl)	120.9250	2.748	2	120.9250	7.550	2	120.9250	7.550	2	119.0534	1.552	50	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(Cl)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(H)2	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(Cl)2{2|C<4>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(H)2{2|C<4>,4|H<1>}	Cl(C[3]C[3,6]C[3]Cl)	119.2632	1.157	4	119.2632	1.340	4	119.2632	1.340	4	119.0534	1.552	50	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CC)(H)2	Cl(C[3]C[3]2Cl)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CC)(H)2	Cl(C[3]C[3]2Cl)	118.9922	0.707	4	118.9922	0.499	4	118.8375	1.303	34	119.0534	1.552	50	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(H)2	Cl(C[3]C[3]2Cl)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(H)2	Cl(C[3]C[3]2Cl)	119.5110	1.403	4	119.5110	1.968	4	118.8375	1.303	34	119.0534	1.552	50	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]C[6]C)(C[3]C[3]Cl2)(H)2	Cl(C[3]C[3]2Cl)	C[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(Cl)2{1|H<1>,2|C<4>}	C[3](C[3]C[3]C[6]C)(C[3]C[3]Cl2)(H)2{1|H<1>,2|C<4>}	Cl(C[3]C[3]2Cl)	118.9852	0.227	4	118.9852	0.051	4	118.8375	1.303	34	119.0534	1.552	50	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(Cl)2	C[3](C[3]C[6a]2C[3])(C[3]C[3]Cl2)(H)2	Cl(C[3]C[3]2Cl)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(Cl)2{4|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]Cl2)(H)2{4|C<3>}	Cl(C[3]C[3]2Cl)	118.9660	2.472	4	118.9660	6.112	4	118.8375	1.303	34	119.0534	1.552	50	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]2)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(H)2	Cl(C[3]C[3]2Cl)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]HH)(Cl)2{2|C<4>,3|C<3>}	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(H)2{2|C<4>,3|C<3>}	Cl(C[3]C[3]2Cl)	118.5581	0.850	12	118.5581	0.723	12	118.8375	1.303	34	119.0534	1.552	50	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(H)2	Cl(C[3]C[3]2Cl)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(Cl)2{2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(H)2{2|C<3>}	Cl(C[3]C[3]2Cl)	118.6598	1.093	6	118.6598	1.195	6	118.8375	1.303	34	119.0534	1.552	50	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:Cl-1:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(Cl)(H)	C[3](C[3]C[3]ClH)(C[3]C[3]CH)(H)2	Cl(C[3]C[3]2H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(Cl)(H)	C[3](C[3]C[3]ClH)(C[3]C[3]CH)(H)2	Cl(C[3]C[3]2H)	119.6400	0.000	1	119.6400	0.000	1	118.9670	0.450	3	119.0534	1.552	50	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:Cl-1:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(Cl)(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]ClH)(H)2	Cl(C[3]C[3]2H)	C[3](C[3]C[5a]C[3]H)(C[3]C[3]HH)(Cl)(H){1|C<3>,1|S<2>}	C[3](C[3]C[5a]C[3]H)(C[3]C[3]ClH)(H)2{1|C<3>,1|S<2>}	Cl(C[3]C[3]2H)	118.9630	0.000	1	118.9630	0.000	1	118.9670	0.450	3	119.0534	1.552	50	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:Cl-1:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(Cl)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClH)(H)2	Cl(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(Cl)(H){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClH)(H)2{2|C<3>}	Cl(C[3]C[3]2H)	118.2980	0.000	1	118.2980	0.000	1	118.9670	0.450	3	119.0534	1.552	50	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:3:1:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(CNO)(H)	Cl(C[3]C[3]2Cl)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(CNO)(H)	Cl(C[3]C[3]2Cl)	118.5793	2.678	4	118.5793	7.174	4	118.5793	7.174	4	118.5793	7.174	4	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:3:4:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]2)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)	Cl(C[3]C[3]2Cl)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]HH)(Cl)2{2|C<4>,3|C<3>}	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH){2|Cl<1>,4|C<3>,4|H<1>}	Cl(C[3]C[3]2Cl)	120.9887	3.496	12	120.9887	12.221	12	120.9887	12.221	12	120.9887	12.221	12	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CC)(CCCH)(H)	Cl(C[3]C[3]2Cl)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CC)(CCCH)(H)	Cl(C[3]C[3]2Cl)	119.1172	1.126	4	119.1172	1.267	4	118.9793	1.512	20	118.9974	1.374	22	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CC)(CH3)(H)	Cl(C[3]C[3]2Cl)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CC)(CH3)(H)	Cl(C[3]C[3]2Cl)	118.7285	1.224	8	118.7285	1.499	8	118.9793	1.512	20	118.9974	1.374	22	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]CH)2(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CHHO)(H)	Cl(C[3]C[3]2Cl)	C[3](C[3]C[3]CH)2(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CHHO)(H)	Cl(C[3]C[3]2Cl)	119.1611	1.393	8	119.1611	1.941	8	118.9793	1.512	20	118.9974	1.374	22	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3]-4:C[3]-4:Cl-1:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(Cl)(H)	C[3](C[3]C[3]ClH)(C[3]C[3]CC)(CCHO)(H)	Cl(C[3]C[3]2H)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(Cl)(H)	C[3](C[3]C[3]ClH)(C[3]C[3]CC)(CCHO)(H)	Cl(C[3]C[3]2H)	119.0030	0.000	1	119.0030	0.000	1	119.1780	0.061	2	118.9974	1.374	22	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3]-4:C[3]-4:Cl-1:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(Cl)(H)	C[3](C[3]C[3]ClH)(C[3]C[3]HH)(CCHO)(H)	Cl(C[3]C[3]2H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(Cl)(H)	C[3](C[3]C[3]ClH)(C[3]C[3]HH)(CCHO)(H)	Cl(C[3]C[3]2H)	119.3530	0.000	1	119.3530	0.000	1	119.1780	0.061	2	118.9974	1.374	22	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:3:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CCHH)(CNO)	Cl(C[3]C[3]2Cl)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CCHH)(CNO)	Cl(C[3]C[3]2Cl)	119.1435	0.917	4	119.1435	0.840	4	119.7496	0.990	10	119.7496	0.990	10	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:3:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CH3)(CNO)	Cl(C[3]C[3]2Cl)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CH3)(CNO)	Cl(C[3]C[3]2Cl)	120.5502	0.792	4	120.5502	0.628	4	119.7496	0.990	10	119.7496	0.990	10	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:3:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(CH3)(CNO)	Cl(C[3]C[3]2Cl)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(CH3)(CNO)	Cl(C[3]C[3]2Cl)	119.3605	0.408	2	119.3605	0.166	2	119.7496	0.990	10	119.7496	0.990	10	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[3]-4:Cl-1:Cl-1:	C[3,5]-4:C[3]-4:C-4:C-4:	C[3]-4:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(Cl)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]Cl2)(CCHH)(CH3)	Cl(C[3]C[3,5]C[3]Cl)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]Cl2)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	Cl(C[3]C[3,5]C[3]Cl)	120.1150	1.044	2	120.1150	1.089	2	120.1150	1.089	2	120.1503	1.072	63	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	Cl(C[3]C[3,6]C[3]Cl)	120.2432	1.121	12	120.0899	1.265	50	120.0899	1.265	50	120.1503	1.072	63	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	Cl(C[3]C[3,6]C[3]Cl)	120.2584	1.290	16	120.0899	1.265	50	120.0899	1.265	50	120.1503	1.072	63	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	Cl(C[3]C[3,6]C[3]Cl)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){3|C<4>,3|H<1>}	Cl(C[3]C[3,6]C[3]Cl)	119.8838	1.013	22	120.0899	1.265	50	120.0899	1.265	50	120.1503	1.072	63	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CCHH)(CH3)	Cl(C[3]C[3]2Cl)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CCHH)(CH3)	Cl(C[3]C[3]2Cl)	120.1453	0.442	4	120.1453	0.195	4	120.2433	0.206	6	120.1503	1.072	63	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(CCCH)(CH3)	Cl(C[3]C[3]2Cl)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(CCCH)(CH3)	Cl(C[3]C[3]2Cl)	120.4395	0.573	2	120.4395	0.329	2	120.2433	0.206	6	120.1503	1.072	63	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6]-4:C-4:	C[3]-4:	C[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH)	Cl(C[3]C[3]2Cl)	C[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(Cl)2{1|H<1>,2|C<4>}	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH){3|C<4>,3|H<1>}	Cl(C[3]C[3]2Cl)	120.6455	0.120	2	120.6455	0.014	2	120.4740	0.052	4	120.1503	1.072	63	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6]-4:C-4:	C[3]-4:	C[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CH3)	Cl(C[3]C[3]2Cl)	C[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(Cl)2{1|H<1>,2|C<4>}	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CH3){2|C<3>,4|H<1>}	Cl(C[3]C[3]2Cl)	120.3025	0.153	2	120.3025	0.024	2	120.4740	0.052	4	120.1503	1.072	63	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3]-4:C[3]-4:Cl-1:H-1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(Cl)(H)	C[3](C[3]C[3]ClH)(C[3]C[3]CH)(CH3)2	Cl(C[3]C[3]2H)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(Cl)(H)	C[3](C[3]C[3]ClH)(C[3]C[3]CH)(CH3)2	Cl(C[3]C[3]2H)	121.3860	0.000	1	121.3860	0.000	1	121.3860	0.000	1	120.1503	1.072	63	119.6166	2.566	187	119.7869	2.482	359
486	486	790	0:SP3_SP-NON_SP3	C[3]	C[3]	Cl	4:4:3:1:	4:4:3:1:	4:	C[3]-4:C[3]-4:C-3:Cl-1:	C[3]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)2(CClC)(Cl)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(C[6a]C[6a]2)(H)	Cl(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)2(CClC)(Cl){4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	Cl(C[3]C[3]2C)	114.9790	0.198	2	114.9790	0.039	2	114.9790	0.039	2	114.9790	0.039	2	119.6166	2.566	187	119.7869	2.482	359
486	486	813	0:SP3_SP2_SP3	C[3,5]	C[3,5]	N[5a]	4:4:3:2:	4:4:2:1:	4:3:3:	C[5,6]-4:C[3,5]-4:N[5a]-3:O[3]-2:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5a]-3:C[5a]-3:	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(N[5a]C[5a]2)(O[3]C[3,5])	C[3,5](C[3,5]C[5,6]N[5a]O[3])(C[5]C[5,6]HH)(O[3]C[3,5])(H)	N[5a](C[3,5]C[3,5]C[5,6]O[3])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(N[5a]C[5a]2)(O[3]C[3,5]){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[3,5](C[3,5]C[5,6]N[5a]O[3])(C[5]C[5,6]HH)(O[3]C[3,5])(H){1|H<1>,2|C<3>,3|C<4>}	N[5a](C[3,5]C[3,5]C[5,6]O[3])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,4|C<4>}	121.8290	0.000	1	121.8290	0.000	1	121.8290	0.000	1	121.8290	0.000	1	121.8290	0.000	1	118.0079	1.478	19
486	486	813	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5,6a]	3:4:4:4:	4:4:1:1:	3:4:2:	N[5,6a]-3:C[5]-4:C[3]-4:C[3]-4:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:N[6a]-2:	C[3,5](N[5,6a]C[5,6a]N[6a])(C[5]C[6a]2O[5])(C[3]C[3]HH)2	C[3](C[3,5]N[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2	N[5,6a](C[5,6a]C[6a,6a]O[5])(C[3,5]C[3]2C[5])(N[6a]C[6a])	C[3,5](N[5,6a]C[5,6a]N[6a])(C[5]C[6a]2O[5])(C[3]C[3]HH)2{6|C<3>}	C[3](C[3,5]N[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2{1|N<2>,1|O<2>,3|C<3>}	N[5,6a](C[5,6a]C[6a,6a]O[5])(C[3,5]C[3]2C[5])(N[6a]C[6a]){1|O<1>,4|C<3>,4|H<1>}	118.6710	1.513	2	118.6710	2.290	2	118.6710	2.290	2	118.6710	2.290	2	118.6710	2.290	2	118.0079	1.478	19
486	486	813	0:SP3_SP2_SP3	C[3]	C[3]	N[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[3]-4:	C[3](N[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H)	C[3](C[3]N[5a]C[3]H)(C[3]C[3]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[3]C[3]2H)	C[3](N[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H){1|C<4>,3|C<3>}	C[3](C[3]N[5a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[3]C[3]2H){4|C<3>,4|H<1>}	117.9240	0.751	2	117.9240	0.564	2	117.8877	0.212	4	118.1555	0.405	6	117.6863	0.479	16	118.0079	1.478	19
486	486	813	0:SP3_SP2_SP3	C[3]	C[3]	N[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[3]-4:	C[3](N[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H)	C[3](C[3]N[5a]C[3]H)(C[3]C[3]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[3]C[3]2H)	C[3](N[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H){1|N<3>,1|O<1>,2|C<3>}	C[3](C[3]N[5a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[3]C[3]2H){2|C<3>,6|H<1>}	117.8515	0.260	2	117.8515	0.067	2	117.8877	0.212	4	118.1555	0.405	6	117.6863	0.479	16	118.0079	1.478	19
486	486	813	0:SP3_SP2_SP3	C[3]	C[3]	N[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[3]-4:	C[3](N[5a]C[5a]2)(C[3]C[3]HH)2(H)	C[3](C[3]N[5a]C[3]H)(C[3]C[3]HH)(H)2	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]O)(C[3]C[3]2H)	C[3](N[5a]C[5a]2)(C[3]C[3]HH)2(H){1|Se<1>,1|C<3>,1|N<3>,1|O<1>}	C[3](C[3]N[5a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]O)(C[3]C[3]2H){1|C<3>,5|H<1>}	118.6910	0.727	2	118.6910	0.528	2	118.6910	0.528	2	118.1555	0.405	6	117.6863	0.479	16	118.0079	1.478	19
486	486	813	0:SP3_SP2_SP3	C[3]	C[3]	N[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a]-3:C[3]-4:N[5a]-2:	C[3](N[5a]C[5a]N[5a])(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]N[5a]C[3]H)(C[3]C[3]CH)(H)2	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a])	C[3](N[5a]C[5a]N[5a])(C[3]C[3]CH)(C[3]C[3]HH)(H){1|H<1>,2|C<3>}	C[3](C[3]N[5a]C[3]H)(C[3]C[3]CH)(H)2{1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a]){1|C<3>,5|H<1>}	117.3180	0.000	2	117.3180	0.000	2	117.7447	0.324	4	117.7447	0.324	4	117.6863	0.479	16	118.0079	1.478	19
486	486	813	0:SP3_SP2_SP3	C[3]	C[3]	N[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a]-3:C[3]-4:N[5a]-2:	C[3](N[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[3](C[3]N[5a]C[3]H)(C[3]C[3]HH)(H)2	N[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	C[3](N[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|H<1>,2|N<2>}	C[3](C[3]N[5a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<2>}	N[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){4|H<1>}	118.1715	0.493	2	118.1715	0.243	2	117.7447	0.324	4	117.7447	0.324	4	117.6863	0.479	16	118.0079	1.478	19
486	486	813	0:SP3_SP2_SP3	C[3]	C[3]	N[5a]	3:4:4:1:	4:4:3:1:	3:4:2:	N[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[5a]-3:C[3]-4:N[5a]-2:	C[3](N[5a]C[5a]N[5a])(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]N[5a]C[3]H)(C[3]C[3]HH)(CNO)(H)	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a])	C[3](N[5a]C[5a]N[5a])(C[3]C[3]CH)(C[3]C[3]HH)(H){1|H<1>,2|C<3>}	C[3](C[3]N[5a]C[3]H)(C[3]C[3]HH)(CNO)(H){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a]){1|C<3>,5|H<1>}	117.4020	0.000	2	117.4020	0.000	2	117.4020	0.000	2	117.4020	0.000	2	117.6863	0.479	16	118.0079	1.478	19
486	486	813	0:SP3_SP2_SP3	C[3]	C[3]	N[5a]	3:4:4:3:	4:4:1:1:	3:4:2:	N[5a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[5a]-3:C[3]-4:N[5a]-2:	C[3](N[5a]C[5a]N[5a])(C[3]C[3]HH)2(CC[6a]O)	C[3](C[3]N[5a]C[3]C)(C[3]C[3]HH)(H)2	N[5a](C[5a]N[5a]H)(C[3]C[3]2C)(N[5a]C[5a])	C[3](N[5a]C[5a]N[5a])(C[3]C[3]HH)2(CC[6a]O){1|C<3>,1|H<1>,1|N<2>}	C[3](C[3]N[5a]C[3]C)(C[3]C[3]HH)(H)2{1|C<3>,1|N<2>}	N[5a](C[5a]N[5a]H)(C[3]C[3]2C)(N[5a]C[5a]){5|H<1>}	117.0660	0.621	4	117.0660	0.385	4	117.0660	0.385	4	117.0660	0.385	4	117.6863	0.479	16	118.0079	1.478	19
486	486	818	0:SP3_SP2_SP3	C[3,3x5]	C[3,5]	C[5]	4:4:4:3:	4:4:3:1:	4:2:1:	C[3,5]-4:C[3,5]-4:C[3x5]-4:C[5]-3:	C[3,3x5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,3x5]-4:O[5]-2:O-1:	C[3,3x5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[3x5]C[5,6a]2C[5])(C[5]O[5]O)	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5](C[3,3x5]C[3,5]2C[3x5])(O[5]C[5])(O)	C[3,3x5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[3x5]C[5,6a]2C[5])(C[5]O[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[3,3x5]C[3,5]2C[3x5])(O[5]C[5])(O){1|C<4>,2|H<1>,5|C<3>}	134.5190	0.000	1	134.5190	0.000	1	134.5190	0.000	1	134.5190	0.000	1	131.1955	22.091	2	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,3x5]	C[3,5]	C[5]	4:4:4:3:	4:4:3:3:	4:2:1:	C[3,5]-4:C[3,5]-4:C[3x5]-4:C[5]-3:	C[3,3x5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,3x5]-4:O[5]-2:O-1:	C[3,3x5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[3x5]C[5,6a]2C[5])(C[5]O[5]O)	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5](C[3,3x5]C[3,5]2C[3x5])(O[5]C[5])(O)	C[3,3x5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[3x5]C[5,6a]2C[5])(C[5]O[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[3,3x5]C[3,5]2C[3x5])(O[5]C[5])(O){1|C<4>,2|H<1>,5|C<3>}	127.8720	0.000	1	127.8720	0.000	1	127.8720	0.000	1	127.8720	0.000	1	131.1955	22.091	2	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,5]	C[3,5]	C[5]	4:4:2:3:	4:4:2:1:	4:2:1:	C[5,5,6]-4:C[3,5]-4:O[3]-2:C[5]-3:	C[3,5,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5,5]-4:O[5]-2:O-1:	C[3,5,5](C[5,5,6]C[5,6]2C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)	C[3,5](C[3,5,5]C[5,5,6]C[5]O[3])(C[5]C[5,6]HH)(O[3]C[3,5,5])(H)	C[5](C[3,5,5]C[5,5,6]C[3,5]O[3])(O[5]C[5,6])(O)	C[3,5,5](C[5,5,6]C[5,6]2C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O){1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[3,5,5]C[5,5,6]C[5]O[3])(C[5]C[5,6]HH)(O[3]C[3,5,5])(H){1|O<1>,2|O<2>,3|C<4>}	C[5](C[3,5,5]C[5,5,6]C[3,5]O[3])(O[5]C[5,6])(O){2|H<1>,4|C<4>}	130.2445	0.626	2	130.2445	0.392	2	130.2445	0.392	2	130.2445	0.392	2	128.5500	8.810	3	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,5]	C[3,5]	C[5]	4:4:4:3:	4:4:4:1:	4:3:2:	C[5,5]-4:C[3,5]-4:C[3]-4:C[5]-3:	C[3,5,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5,5]-4:C[5,6]-3:O-2:	C[3,5,5](C[5,5]C[5,6]C[5]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)	C[3,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5]CC)(H)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5,6]C[5,6]C[6])(OC)	C[3,5,5](C[5,5]C[5,6]C[5]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5,6]O){3|H<1>,4|C<4>}	C[3,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5,6]C[5,6]C[6])(OC){4|C<4>,7|H<1>}	125.1610	0.000	1	125.1610	0.000	1	125.1610	0.000	1	125.1610	0.000	1	128.5500	8.810	3	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,5]	C[3]	C[5,5]	4:3:4:4:	4:4:1:1:	4:3:4:	C[3,5,5]-4:C[5,5]-3:C[3]-4:C[5]-4:	C[3,5,5]-4:C[3,5,5]-4:Br-1:Br-1:	C[3,5,5]-4:C[5,5]-3:C[5]-4:	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH)	C[3](C[3,5,5]C[3,5,5]C[5,5]C[5])(C[3,5,5]C[3,5,5]C[5]2)(Br)2	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH){1|C<3>,2|C<4>,6|H<1>}	C[3](C[3,5,5]C[3,5,5]C[5,5]C[5])(C[3,5,5]C[3,5,5]C[5]2)(Br)2{2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|Br<1>,1|C<3>,2|C<4>,6|H<1>}	113.9600	0.000	1	113.8600	0.020	2	113.8600	0.020	2	113.8600	0.020	2	113.8600	0.020	2	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,5]	C[3]	C[5,5]	4:3:4:4:	4:4:1:1:	4:3:4:	C[3,5,5]-4:C[5,5]-3:C[3]-4:C[5]-4:	C[3,5,5]-4:C[3,5,5]-4:Br-1:Br-1:	C[3,5,5]-4:C[5,5]-3:C[5]-4:	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH)	C[3](C[3,5,5]C[3,5,5]C[5,5]C[5])(C[3,5,5]C[3,5,5]C[5]2)(Br)2	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	C[3](C[3,5,5]C[3,5,5]C[5,5]C[5])(C[3,5,5]C[3,5,5]C[5]2)(Br)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|Br<1>,1|O<1>,2|C<4>,6|H<1>}	113.7600	0.000	1	113.8600	0.020	2	113.8600	0.020	2	113.8600	0.020	2	113.8600	0.020	2	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,5]	C[3]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[3,5,5]-4:C[3]-4:C[5]-3:C[5]-4:	C[3,5,5]-4:C[3,5,5]-4:Br-1:Br-1:	C[3,5,5]-4:C[5,5]-3:O-1:	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]O)(C[5]C[5]HH)	C[3](C[3,5,5]C[3,5,5]C[5,5]C[5])(C[3,5,5]C[3,5,5]C[5]2)(Br)2	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(O)	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]O)(C[5]C[5]HH){2|C<4>,4|H<1>}	C[3](C[3,5,5]C[3,5,5]C[5,5]C[5])(C[3,5,5]C[3,5,5]C[5]2)(Br)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(O){2|Br<1>,4|C<4>,4|H<1>}	116.4540	0.000	1	116.4540	0.000	1	116.4540	0.000	1	116.4540	0.000	1	121.9313	73.096	3	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,5]	C[3]	C[5]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3,5,5]-4:C[3]-4:C[5]-3:C[5]-4:	C[3,5,5]-4:C[3,5,5]-4:Br-1:Br-1:	C[3,5,5]-4:C[5,5]-3:C-3:	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]C)(C[5]C[5]HH)	C[3](C[3,5,5]C[3,5,5]C[5,5]C[5])(C[3,5,5]C[3,5,5]C[5]2)(Br)2	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(CHH)	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]C)(C[5]C[5]HH){2|C<4>,4|H<1>}	C[3](C[3,5,5]C[3,5,5]C[5,5]C[5])(C[3,5,5]C[3,5,5]C[5]2)(Br)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(CHH){2|Br<1>,4|C<4>,4|H<1>}	117.5570	0.000	1	117.5570	0.000	1	117.5570	0.000	1	117.5570	0.000	1	121.9313	73.096	3	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,5]	C[3]	C[5]	4:4:4:3:	4:4:1:1:	4:3:2:	C[5,5]-4:C[3,5]-4:C[3]-4:C[5]-3:	C[3,5,5]-4:C[3,5]-4:H-1:H-1:	C[3,5,5]-4:C[5,6]-3:O-2:	C[3,5,5](C[5,5]C[5,6]C[5]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)	C[3](C[3,5,5]C[3,5]C[5,5]C[5])(C[3,5]C[3,5,5]C[5]H)(H)2	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5,6]C[5,6]C[6])(OC)	C[3,5,5](C[5,5]C[5,6]C[5]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5,6]O){3|H<1>,4|C<4>}	C[3](C[3,5,5]C[3,5]C[5,5]C[5])(C[3,5]C[3,5,5]C[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5,6]C[5,6]C[6])(OC){4|C<4>,7|H<1>}	131.7830	0.000	1	131.7830	0.000	1	131.7830	0.000	1	131.7830	0.000	1	121.9313	73.096	3	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6,6]	C[3,6,6]	C[5,6]	4:4:4:3:	4:4:3:2:	4:4:3:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[5,6]-3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:C-2:	C[3,5,6,6]-4:C[5]-4:C[5,6]-3:	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]C[5])	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])(C[3,5,6,6]C[3,5,6,6]C[5,6]2)(C[6,6]C[6,6]O)(CN)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])(C[3,5,6,6]C[3,5,6,6]C[5,6]2)(C[6,6]C[6,6]O)(CN){2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6]){1|C<2>,2|C<4>,4|C<3>,5|H<1>}	116.2815	0.047	2	116.2815	0.002	2	116.2815	0.002	2	116.2815	0.002	2	116.2815	0.002	2	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6,6]	C[3,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:4:	C[3,5,6]-4:C[3,6]-4:C[3x6]-4:C[5]-3:	C[3,5,6,6]-4:C[3,5,6]-4:C[6]-4:H-1:	C[3,5,6,6]-4:C[5]-3:C[6]-4:	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6])	C[3,6](C[3,5,6,6]C[3,5,6]C[3x6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H)	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6]){1|C<3>,5|C<4>,9|H<1>}	C[3,6](C[3,5,6,6]C[3,5,6]C[3x6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H){2|C<3>,4|H<1>,5|C<4>}	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,7|H<1>,8|C<4>}	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6]	3:4:3:4:	4:4:3:3:	4:3:3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2{8|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2{1|Ru<5>,3|C<4>,7|C<3>}	128.4455	0.100	2	128.4455	0.010	2	128.4455	0.010	2	128.4455	0.010	2	127.0102	2.840	8	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6]	4:3:3:4:	4:4:3:3:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(COO)2{8|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2{1|Ru<5>,3|C<4>,7|C<3>}	127.9155	0.166	2	127.9155	0.028	2	127.9155	0.028	2	127.9155	0.028	2	127.0102	2.840	8	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	C[5,6,6]	4:3:3:4:	4:4:3:3:	4:3:4:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-3:C-3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)2(C[3]C[3,5,6,6]CC)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)(COO)2	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)2(C[3]C[3,5,6,6]CC){2|Ru<5>,2|C<4>,6|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)(COO)2{2|C<4>,6|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru){1|Ru<5>,3|C<4>,7|C<3>}	125.8400	1.694	4	125.8400	2.868	4	125.8400	2.868	4	125.8400	2.868	4	127.0102	2.840	8	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,5,6]-4:C[3]-4:C[6]-3:H-1:	C[3,5,6]-4:N[5]-3:O-1:	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O)	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[3]C[3,5,6]CC)(C[6]C[6]O)(H)	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O)	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>}	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[3]C[3,5,6]CC)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	131.5710	0.000	1	131.5710	0.000	1	131.5710	0.000	1	131.5710	0.000	1	123.4398	68.803	6	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[5]	3:4:4:3:	4:4:4:1:	4:3:1:	C[5,6,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,5,6]-4:C[5,6]-4:C[3]-4:H-1:	C[3,5,6]-4:N[5]-3:O-1:	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[5]N[5]O)	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[5,6]C[5,6]C[5]O)(C[3]C[3,5,6]CC)(H)	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O)	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[5]N[5]O){1|O<2>,2|C<3>,3|C<4>}	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[5,6]C[5,6]C[5]O)(C[3]C[3,5,6]CC)(H){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	130.0730	0.000	1	130.0730	0.000	1	130.0730	0.000	1	130.0730	0.000	1	123.4398	68.803	6	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[5]	4:4:2:3:	4:4:2:1:	4:4:3:	C[3,6]-4:C[5,6]-4:O[3]-2:C[5]-3:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[5]-4:C-3:	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,5,6])(H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]O[5]HH)(CHH)	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C){1|O<2>,3|C<4>,3|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,5,6])(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]O[5]HH)(CHH){1|H<1>,1|O<2>,2|C<4>}	127.2690	0.000	1	127.2690	0.000	1	127.2690	0.000	1	127.2690	0.000	1	123.4398	68.803	6	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[5]	4:4:3:2:	4:2:4:1:	4:4:1:	C[5,6]-4:C[3,6]-4:C[5]-3:O[3]-2:	C[3,5,6]-4:O[3]-2:C[6]-4:H-1:	C[3,5,6]-4:C[5,5,6]-4:O-1:	C[3,5,6](C[5,6]C[5,5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CH)(H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5,5,6]C[5,5,6]2H)(O)	C[3,5,6](C[5,6]C[5,5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,6]){1|N<3>,4|C<4>,4|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5,5,6]C[5,5,6]2H)(O){1|C<3>,4|C<4>,4|H<1>}	120.4620	0.000	1	120.4620	0.000	1	120.4620	0.000	1	120.4620	0.000	1	123.4398	68.803	6	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[5]	4:4:3:3:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3,6]-4:C[5]-3:C[6]-3:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5,6]-4:P[5]-4:C-3:	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]P[5]C)(C[6]O[6]O)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]B[6]HH)(H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(P[5]C[5]CC)(COO)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]P[5]C)(C[6]O[6]O){1|B<4>,2|C<4>,4|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]B[6]HH)(H){1|P<4>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(P[5]C[5]CC)(COO){2|C<4>,2|O<2>,3|H<1>}	122.2820	0.000	1	122.2820	0.000	1	122.2820	0.000	1	122.2820	0.000	1	123.4398	68.803	6	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[5]	4:4:3:4:	4:4:4:1:	4:3:3:	C[3,5,6,6]-4:C[3,6]-4:C[5]-3:C[6]-4:	C[3,5,6,6]-4:C[3,5,6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[5]-3:C[6a]-3:	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH)	C[3,6](C[3,5,6,6]C[3,5,6]C[3x6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]C[6])(C[6a]C[6a]2)	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH){2|C<3>,4|H<1>,6|C<4>}	C[3,6](C[3,5,6,6]C[3,5,6]C[3x6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H){2|C<3>,4|H<1>,5|C<4>}	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,6|C<4>,6|H<1>}	108.9820	0.000	1	108.9820	0.000	1	108.9820	0.000	1	108.9820	0.000	1	123.4398	68.803	6	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[5,6]	3:4:4:3:	4:4:3:1:	4:3:2:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5,6]-3:	C[3,5,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,5,6]-4:N[6]-3:N[5]-2:	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6])	C[3](C[3,5,6]C[5,6a]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[6]C[6,6a]S)(N[5]C[5,6a])	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,1|S<4>,6|C<3>}	C[3](C[3,5,6]C[5,6a]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[5,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[6]C[6,6a]S)(N[5]C[5,6a]){2|H<1>,5|C<3>}	122.2350	0.000	1	122.2350	0.000	1	122.2350	0.000	1	122.2350	0.000	1	118.9220	5.035	6	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[5,6]	3:4:4:4:	4:4:4:3:	4:4:3:	C[5,6]-3:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[3,5]-4:C-4:C-3:	C[3,5,6]-4:C[6,6]-4:C[5]-3:	C[3,5,6](C[5,6]C[6,6]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6]C[6]HH)	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(CH3)(CCH)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H)	C[3,5,6](C[5,6]C[6,6]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6]C[6]HH){1|O<1>,3|C<4>,3|H<1>}	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(CH3)(CCH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	116.0580	0.000	1	116.0580	0.000	1	116.0580	0.000	1	116.0580	0.000	1	118.9220	5.035	6	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[5,6]	4:3:4:3:	4:4:1:1:	4:4:3:	C[3,5,6]-4:C[5,6]-3:C[3]-4:C[5]-3:	C[3,5,6]-4:C[3,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[5]-3:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5])(C[3]C[3,5,6]HH)(C[5]O[5]O)	C[3](C[3,5,6]C[3,5,6]C[5,6]C[5])(C[3,5,6]C[3,5,6]C[5]C[6])(H)2	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5])(C[3]C[3,5,6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3](C[3,5,6]C[3,5,6]C[5,6]C[5])(C[3,5,6]C[3,5,6]C[5]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	117.7445	0.013	2	117.7445	0.000	2	117.7445	0.000	2	117.7445	0.000	2	118.9220	5.035	6	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,5,6]-4:C[5,6]-3:C[3]-4:C[3]-4:	C[3,5,6]-4:C[3]-4:H-1:H-1:	C[3,5,6]-4:C[5,5,6]-4:O-1:	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[3]C[6a]C[3]O)(C[3]C[3]HH)	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]C[6a]O)(H)2	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(O)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[3]C[6a]C[3]O)(C[3]C[3]HH){1|C<4>,2|C<3>,5|H<1>}	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]C[6a]O)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(O){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	119.0370	0.000	1	119.0370	0.000	1	119.0370	0.000	1	119.0370	0.000	1	118.9220	5.035	6	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[5,6]	4:3:4:4:	4:4:3:2:	4:4:1:	C[5,5,6]-4:C[5,6]-3:C[3]-4:C[3]-4:	C[3,5,6]-4:C[3]-4:C[6a]-3:O-2:	C[3,5,6]-4:C[5,5,6]-4:O-1:	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[3]C[6a]C[3]O)(C[3]C[3]HH)	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(OC)	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(O)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[3]C[6a]C[3]O)(C[3]C[3]HH){1|C<4>,2|C<3>,5|H<1>}	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(O){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	120.7130	0.000	1	120.7130	0.000	1	120.7130	0.000	1	120.7130	0.000	1	118.9220	5.035	6	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[5]	3:4:4:3:	4:4:4:4:	4:3:1:	C[5,6,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,5,6]-4:C[3,6]-4:C-4:C-4:	C[3,5,6]-4:N[5]-3:O-1:	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O)	C[3](C[3,5,6]C[5,6,6a]C[3,6]C[5])(C[3,6]C[3,5,6]C[6]H)(CH3)2	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O)	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>}	C[3](C[3,5,6]C[5,6,6a]C[3,6]C[5])(C[3,6]C[3,5,6]C[6]H)(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	119.5850	0.000	1	119.5850	0.000	1	119.8490	0.139	2	119.8490	0.139	2	115.4828	16.201	5	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[5]	3:4:4:3:	4:4:4:4:	4:3:1:	C[5,6,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,5,6]-4:C[3,6]-4:C-4:C-4:	C[3,5,6]-4:N[5]-3:O-1:	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[5]N[5]O)	C[3](C[3,5,6]C[5,6,6a]C[3,6]C[5])(C[3,6]C[3,5,6]C[5,6]H)(CH3)2	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O)	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[5]N[5]O){1|O<2>,2|C<3>,3|C<4>}	C[3](C[3,5,6]C[5,6,6a]C[3,6]C[5])(C[3,6]C[3,5,6]C[5,6]H)(CH3)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	120.1130	0.000	1	120.1130	0.000	1	119.8490	0.139	2	119.8490	0.139	2	115.4828	16.201	5	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[5]	4:3:4:3:	4:4:1:1:	4:2:1:	C[3,5,6]-4:C[5,6]-3:C[3]-4:C[5]-3:	C[3,5,6]-4:C[3,5,6]-4:H-1:H-1:	C[3,5,6]-4:O[5]-2:O-1:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5])(C[3]C[3,5,6]HH)(C[5]O[5]O)	C[3](C[3,5,6]C[3,5,6]C[5,6]C[5])(C[3,5,6]C[3,5,6]C[5]C[6])(H)2	C[5](C[3,5,6]C[3,5,6]C[5,6]C[3])(O[5]C[5])(O)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5])(C[3]C[3,5,6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3](C[3,5,6]C[3,5,6]C[5,6]C[5])(C[3,5,6]C[3,5,6]C[5]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5,6]C[3,5,6]C[5,6]C[3])(O[5]C[5])(O){2|C<3>,2|C<4>,3|H<1>}	113.0015	0.118	2	113.0015	0.014	2	113.0015	0.014	2	113.0015	0.014	2	115.4828	16.201	5	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[3,5,6]-4:C[5,6]-4:C[3]-4:C[5]-3:	C[3,5,6]-4:C[3,5,6]-4:H-1:H-1:	C[3,5,6]-4:O[5]-2:O-1:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5]O)(C[3]C[3,5,6]HH)(C[5]O[5]O)	C[3](C[3,5,6]C[3,5,6]C[5,6]C[5])(C[3,5,6]C[3,5,6]C[5]C[6])(H)2	C[5](C[3,5,6]C[3,5,6]C[5,6]C[3])(O[5]C[5])(O)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5]O)(C[3]C[3,5,6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3](C[3,5,6]C[3,5,6]C[5,6]C[5])(C[3,5,6]C[3,5,6]C[5]C[6])(H)2{1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[3,5,6]C[3,5,6]C[5,6]C[3])(O[5]C[5])(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	111.7130	0.000	1	111.7130	0.000	1	111.7130	0.000	1	111.7130	0.000	1	115.4828	16.201	5	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5,5,6]	C[5]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,5,5,6]-4:C[3,5,5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3,5,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5,5,6]C[3,5,5]C[5,5,6]2)(C[3,5,5]C[3,5,5,6]C[5,5]O)(C[5]C[5]H)(H)	C[3,5,5,6](C[5,5,6]C[5,5,3x6]C[5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[3,5,5]C[3,5]C[5,5]O)(C[3,5]C[3,5,5]C[5]H)	C[5](C[3,5]C[3,5,5,6]C[3,5,5]H)(C[5]C[5,5]H)(H)	C[3,5](C[3,5,5,6]C[3,5,5]C[5,5,6]2)(C[3,5,5]C[3,5,5,6]C[5,5]O)(C[5]C[5]H)(H){4|C<4>,4|H<1>}	C[3,5,5,6](C[5,5,6]C[5,5,3x6]C[5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[3,5,5]C[3,5]C[5,5]O)(C[3,5]C[3,5,5]C[5]H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[5](C[3,5]C[3,5,5,6]C[3,5,5]H)(C[5]C[5,5]H)(H){1|H<1>,1|O<2>,3|C<4>}	115.9510	0.057	2	115.9510	0.003	2	115.9510	0.003	2	115.9510	0.003	2	115.9510	0.003	2	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[3,5,5,6]-4:C[3,5,6]-4:C[5]-3:H-1:	C[3,5,5,6]-4:C[3,5]-4:N[5]-3:C[6]-4:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5,5,6]C[3,5,6]C[5,6a]C[5,6])(C[3,5,6]C[3,5,5,6]C[6]N[5])(C[5]N[5]O)(H)	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH)	C[5](C[3,5]C[3,5,5,6]C[3,5,6]H)(N[5]C[5,6]C)(O)	C[3,5](C[3,5,5,6]C[3,5,6]C[5,6a]C[5,6])(C[3,5,6]C[3,5,5,6]C[6]N[5])(C[5]N[5]O)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[3,5]C[3,5,5,6]C[3,5,6]H)(N[5]C[5,6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.8520	0.000	1	117.8520	0.000	1	117.8520	0.000	1	117.8520	0.000	1	117.8520	0.000	1	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6]-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6]-3:C[6]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6]C[5,6]C[6])(H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6](C[3,5]C[3,5,5]C[3,5]H)(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6]C[5,6]C[6])(H){1|C<2>,2|H<1>,3|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>}	C[5,6](C[3,5]C[3,5,5]C[3,5]H)(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	120.1880	0.000	1	120.1880	0.000	1	120.1880	0.000	1	120.1880	0.000	1	120.1880	0.000	1	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3,5]-4:C[3,5]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H)	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	113.8760	0.000	1	113.8760	0.000	1	113.8760	0.000	1	113.8760	0.000	1	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	3:4:4:3:	4:4:3:2:	4:3:1:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-3:S[5]-2:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|N<3>,1|O<1>,5|C<3>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,4|C<3>}	114.2340	0.000	1	114.2340	0.000	1	114.2340	0.000	1	114.2340	0.000	1	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	3:4:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-3:C[5]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(C[5]C[5,6a]O)2	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O){1|H<1>,2|O<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	117.1650	0.000	1	117.1650	0.000	1	117.1650	0.000	1	117.1650	0.000	1	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	3:4:4:3:	4:4:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3,5]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:C[5]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O){1|N<3>,2|O<1>,5|C<3>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	3:4:4:3:	4:4:4:4:	4:3:1:	C[5,6a]-3:C[3,5]-4:C[3,5]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C[5]-4:C-4:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	117.4800	0.000	1	117.4800	0.000	1	117.4800	0.000	1	117.4800	0.000	1	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:4:3:	4:3:4:1:	4:3:1:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]S)(O)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|S<4>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	111.7585	0.245	2	111.7585	0.060	2	111.7585	0.060	2	111.7585	0.060	2	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:4:3:	4:3:4:1:	4:3:2:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(NS)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N){1|C<4>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(NS){1|C<4>,2|H<1>,3|C<3>}	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:4:3:	4:3:4:3:	4:3:1:	C[3,5]-4:C[5,6a]-3:C[3]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[3]-4:C[5]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	117.0790	0.431	2	117.0790	0.186	2	117.0790	0.186	2	117.0790	0.186	2	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:4:3:	4:4:4:1:	4:3:1:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H)	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]S)(O)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|S<4>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	114.5865	0.839	2	114.5865	0.704	2	114.5865	0.704	2	114.5865	0.704	2	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:4:3:	4:4:4:1:	4:3:2:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H)	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(NS)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N){1|C<4>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H){1|N<2>,1|N<3>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(NS){1|C<4>,2|H<1>,3|C<3>}	114.7730	0.000	1	114.7730	0.000	1	114.7730	0.000	1	114.7730	0.000	1	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:2:3:	4:4:2:1:	4:4:3:	C[3,5]-4:C[5]-4:O[3]-2:C[5]-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])(C[5]C[5]2)	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]CC)(O[3]C[3,5])(H)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]O[5]HH)(C[5]C[5]C)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])(C[5]C[5]2){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]CC)(O[3]C[3,5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]O[5]HH)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	124.1180	0.000	1	124.1180	0.000	1	124.1180	0.000	1	124.1180	0.000	1	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	3:4:4:3:	4:4:1:	C[3,5]-4:C[3,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[3,5]-4:C[5]-3:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[5](C[3,5]C[3,5]2H)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]2H)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	115.5630	0.000	1	115.5630	0.000	1	115.5630	0.000	1	115.5630	0.000	1	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5]C)(O)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5]C)(O){1|C<3>,1|N<3>,3|H<1>}	114.2800	0.000	2	114.0827	0.117	3	114.0827	0.117	3	115.9595	14.168	4	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5]C)(O)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	113.6880	0.000	1	114.0827	0.117	3	114.0827	0.117	3	115.9595	14.168	4	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,5]-4:C[3,5,5]-4:C[5]-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5]C[5]H)(H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]H)(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]H)(H){1|H<1>,4|C<3>}	121.5900	0.000	1	121.5900	0.000	1	121.5900	0.000	1	115.9595	14.168	4	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:3:3:	4:3:1:	C[3,5]-4:C[3,5,5]-4:C[5]-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]H)(C[5]C[5]H)(H)	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]2)(COO)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]C)(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]2)(COO){2|H<1>,4|C<3>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]C)(H){2|H<1>,3|C<3>}	119.5190	0.000	1	119.5190	0.000	1	119.5190	0.000	1	120.9345	4.007	2	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:3:3:	4:3:1:	C[3,5]-4:C[3,5,5]-4:C[5]-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C[6a])(C[3,5,5]C[3,5]P[5,5]C[6a])(C[5]C[5]H)(H)	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]P[5,5]C[6a])(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C[6a])(C[3,5,5]C[3,5]P[5,5]C[6a])(C[5]C[5]H)(H){1|Se<1>,7|C<3>}	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Se<1>,4|H<1>,7|C<3>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]P[5,5]C[6a])(H){1|Se<1>,6|C<3>}	122.3500	0.000	1	122.3500	0.000	1	122.3500	0.000	1	120.9345	4.007	2	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:O-1:	C[3,5](C[3,5,5]C[3,5]C[3x5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5,5]O)(H)	C[3,5](C[3,5,5]C[3,5]C[3x5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5,5]CH)(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]O[5]H)(O)	C[3,5](C[3,5,5]C[3,5]C[3x5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5,5]O)(H){1|O<2>,2|H<1>,3|C<4>}	C[3,5](C[3,5,5]C[3,5]C[3x5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5,5]CH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]O[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	118.0515	0.081	2	118.0515	0.007	2	118.0515	0.007	2	118.0515	0.007	2	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:2:	4:3:1:	C[3,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,6]-4:O[5]-2:	C[3,5]-4:C[5]-3:O-1:	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H)	C[3,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5,6])	C[5](C[3,5]C[3,5]2H)(C[5]C[5]C)(O)	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[3,5]C[3,5]2H)(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<4>}	116.9370	0.734	2	116.9370	0.539	2	116.9370	0.539	2	116.9370	0.539	2	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:C-4:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]O)(H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5]CH)(CHHO)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]CH)(O)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5]CH)(CHHO){1|C<4>,1|O<1>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]CH)(O){1|H<1>,4|C<4>}	119.7280	0.570	2	119.7280	0.325	2	119.9665	0.311	4	119.9665	0.311	4	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:C-4:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]O)(H)	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5]HO)(CH3)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(O)	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]O)(H){1|C<4>,1|O<2>,4|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5]HO)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(O){2|H<1>,3|C<4>}	120.2050	0.617	2	120.2050	0.380	2	119.9665	0.311	4	119.9665	0.311	4	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:2:	3:4:4:3:	4:2:1:	C[3,5]-4:C[3]-4:C[5]-3:S[5]-2:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:N[5]-2:O-1:	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)	C[5](C[3,5]C[3,5]C[3]S[5])(N[5]C[5])(O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|N<3>,1|O<1>,5|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[3,5]C[3,5]C[3]S[5])(N[5]C[5])(O){1|H<1>,4|C<3>}	118.0170	0.000	1	118.0170	0.000	1	118.0170	0.000	1	118.0170	0.000	1	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	3:4:4:3:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:O-1:	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(C[5]C[5,6a]O)2	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O)	C[5](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O){1|H<1>,2|O<1>,5|C<3>}	C[5](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	121.1465	3.178	2	121.1465	10.103	2	121.1465	10.103	2	121.1465	10.103	2	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:3:1:	4:2:1:	C[3,5,5]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[3,5,5]-4:C[3,5]-4:N[5]-3:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H)	C[5](C[3,5]C[3,5,5]C[3,5]C[6a])(O[5]C[5])(O)	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O){4|H<1>,5|C<3>}	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[3,5]C[3,5,5]C[3,5]C[6a])(O[5]C[5])(O){1|N<3>,3|C<3>,3|H<1>}	112.2080	1.803	2	112.2080	3.251	2	112.2080	3.251	2	112.2080	3.251	2	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3,5]-4:C[3,5,5]-4:C[5]-3:C-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5]C[5]H)(COO)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]H)(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5]C[5]H)(COO){1|H<1>,1|O<2>,2|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.9140	0.000	1	120.9140	0.000	1	120.9140	0.000	1	120.9140	0.000	1	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:3:3:	4:3:1:	C[3,5]-4:C[3,6]-4:N[5]-3:C[5]-3:	C[3,5]-4:C[3,6]-4:N[5]-3:C[5]-3:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Co)(C[5]C[5]H)	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Co)(C[5]C[5]H)	C[5](C[3,5]C[3,5]C[3,6]N[5])(C[5]C[5]H)(H)	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Co)(C[5]C[5]H){2|C<3>,3|C<4>,6|H<1>}	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Co)(C[5]C[5]H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[3,5]C[3,5]C[3,6]N[5])(C[5]C[5]H)(H){1|Co<5>,1|C<3>,1|N<3>,3|C<4>}	126.3220	2.364	4	126.3220	5.589	4	125.8417	3.221	8	124.1444	8.581	12	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:3:3:	4:3:1:	C[3,5]-4:C[3,6]-4:N[5]-3:C[5]-3:	C[3,5]-4:C[3,6]-4:N[5]-3:C[5]-3:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Fe)(C[5]C[5]H)	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[3,5]C[3,5]C[3,6]N[5])(C[5]C[5]H)(H)	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Fe)(C[5]C[5]H){2|C<3>,3|C<4>,6|H<1>}	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Fe)(C[5]C[5]H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[3,5]C[3,5]C[3,6]N[5])(C[5]C[5]H)(H){1|Fe<5>,1|C<3>,1|N<3>,3|C<4>}	125.3615	1.145	4	125.3615	1.310	4	125.8417	3.221	8	124.1444	8.581	12	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:3:3:	4:3:1:	C[3]-4:C[3,5]-4:C[5]-3:C[5]-3:	C[3]-4:C[3,5]-4:C[5]-3:C[5]-3:	C[3,5]-4:C[5,6a]-3:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]C[5,6a]O)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]C[5,6a]O)2	C[5](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]C[5,6a]O)2{2|O<1>,6|C<3>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]C[5,6a]O)2{2|O<1>,6|C<3>}	C[5](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,5|C<3>}	120.7497	0.949	4	120.7497	0.900	4	120.7497	0.900	4	124.1444	8.581	12	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:2:1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:C-3:	C[3,5,5]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6])(C[3,5]C[3,5,5]C[5]H)(C[5]O[5]O)(CCN)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6])(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]HH)(H)	C[5](C[3,5]C[3,5,5]C[3,5]C)(O[5]C[5,5])(O)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6])(C[3,5]C[3,5,5]C[5]H)(C[5]O[5]O)(CCN){1|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6])(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(O[5]C[5,5])(O){1|C<3>,2|C<4>,2|H<1>}	117.1737	0.490	4	117.1737	0.240	4	117.1737	0.240	4	117.1737	0.240	4	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:3:2:	C[3,5,5]-4:C[3,5]-4:C[5]-3:C-3:	C[3,5,5]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]N[5]N)(COO)	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]HH)(H)	C[5](C[3,5]C[3,5,5]C[3,5]C)(N[5]C[5,5]C)(NS)	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]N[5]N)(COO){2|C<4>,3|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(N[5]C[5,5]C)(NS){2|C<4>,3|H<1>}	117.1720	0.000	1	117.1720	0.000	1	117.1720	0.000	1	117.1720	0.000	1	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:4:2:	4:3:1:	C[3,5]-4:C[3,5]-4:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:C[5,6]-4:O[5]-2:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]H)(CC3)	C[3,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5,6])	C[5](C[3,5]C[3,5]2C)(C[5]C[5]C)(H)	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[3,5]C[3,5]2C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	110.9490	0.847	2	110.9490	0.718	2	110.9490	0.718	2	110.9490	0.718	2	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:4:3:	4:3:4:	C[3,5,5]-4:C[3,5]-4:C[5]-3:C-4:	C[3,5,5]-4:C[3,5]-4:C[5]-4:C-3:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]C)(CH3)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[6a]P[5]H)(COO)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[6a]P[5]H)(COO){1|O<2>,1|W<6>,2|C<4>,3|C<3>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|P<4>,3|C<4>}	116.2050	0.000	1	116.2050	0.000	1	116.3930	0.071	2	116.3930	0.071	2	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:4:3:	4:3:4:	C[3,5,5]-4:C[3,5]-4:C[5]-3:C-4:	C[3,5,5]-4:C[3,5]-4:C[5]-4:C-3:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]C)(CH3)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]P[5]CH)(COO)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]P[5]CH)(COO){1|C<3>,1|O<2>,1|W<6>,2|C<4>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|P<4>,3|C<4>}	116.5810	0.000	1	116.5810	0.000	1	116.3930	0.071	2	116.3930	0.071	2	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:4:3:	3:4:4:3:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[3]-4:C[3,5]-4:C[5]-3:	C[3,5]-4:C[5]-3:O-1:	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O)	C[5](C[3,5]C[3,5]C[3]C[5])(C[5]N[5]O)(O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O){1|N<3>,2|O<1>,5|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[3,5]C[3,5]C[3]C[5])(C[5]N[5]O)(O){3|H<1>,4|C<3>}	123.0600	0.000	1	123.0600	0.000	1	123.0600	0.000	1	123.0600	0.000	1	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3,5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[3,5](C[3,5]C[3,5]C[5]H)2(C[5]C[5,6]HH)(C[5]C[5,6]O)	C[3,5](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)(H)	C[5](C[3,5]C[3,5]2C[5])(C[5,6]C[5,6]C[6]C)(O)	C[3,5](C[3,5]C[3,5]C[5]H)2(C[5]C[5,6]HH)(C[5]C[5,6]O){4|C<4>,5|H<1>}	C[3,5](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,6|H<1>}	C[5](C[3,5]C[3,5]2C[5])(C[5,6]C[5,6]C[6]C)(O){4|C<4>,7|H<1>}	115.1035	1.179	2	115.1035	1.389	2	115.1035	1.389	2	115.1035	1.389	2	118.2598	19.393	59	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[3,5,6,6]-4:C[3,6,6]-4:C[6a]-3:C[5]-3:	C[3,5,6,6]-4:C[3,5]-4:C[3x6]-4:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5,6,6]C[3,6,6]C[3x6]C[5])(C[3,6,6]C[3,5,6,6]C[3x6]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[3,6,6](C[3,5,6,6]C[3,5]C[3x6]C[5])(C[3,5]C[3,5,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(H)	C[5](C[3,5]C[3,5,6,6]C[3,6,6]C[6a])(N[5]C[5]S)(O)	C[3,5](C[3,5,6,6]C[3,6,6]C[3x6]C[5])(C[3,6,6]C[3,5,6,6]C[3x6]H)(C[6a]C[6a]2)(C[5]N[5]O){1|S<4>,2|N<3>,4|C<3>,6|H<1>}	C[3,6,6](C[3,5,6,6]C[3,5]C[3x6]C[5])(C[3,5]C[3,5,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	C[5](C[3,5]C[3,5,6,6]C[3,6,6]C[6a])(N[5]C[5]S)(O){2|C<3>,2|C<4>,3|H<1>}	107.2410	0.000	1	107.2410	0.000	1	107.2410	0.000	1	107.2410	0.000	1	107.2410	0.000	1	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:4:3:	C[3,5]-4:C[3,6]-4:C[5,6]-3:H-1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-4:	C[3,5]-4:C[5,6]-4:C[5,6]-3:	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5,6]C[5,6]2)(H)	C[3,6](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6]C[6]HH)2	C[5,6](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5,6]C[5,6]2)(H){5|C<4>,7|H<1>}	C[3,6](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]){6|C<4>,7|H<1>}	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5]	3:4:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6]-3:C[6]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O)	C[3,6](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6]C[6]H)2	C[5](C[3,5]C[5,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6]C[6]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[3,5]C[5,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	116.2240	0.000	1	116.2240	0.000	1	116.2240	0.000	1	116.2240	0.000	1	119.6537	22.904	29	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5]	3:4:4:3:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[3,6]-4:C[3,6]-4:C[5]-3:	C[3,5]-4:C[3,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[5,6a]C[5,6a]N[6a])(C[3,6]C[3,6]C[6]H)2(C[5]C[5]H)	C[3,6](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]H)(C[6]C[6]HH)(H)	C[5](C[3,5]C[5,6a]C[3,6]2)(C[5]C[5,6a]C[6a])(H)	C[3,5](C[5,6a]C[5,6a]N[6a])(C[3,6]C[3,6]C[6]H)2(C[5]C[5]H){1|N<2>,4|C<3>,4|H<1>}	C[3,6](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]H)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3,6]2)(C[5]C[5,6a]C[6a])(H){2|C<3>,2|C<4>,2|H<1>,2|N<2>}	124.8218	0.877	4	124.8218	0.769	4	124.8218	0.769	4	124.8218	0.769	4	119.6537	22.904	29	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5]	4:4:3:1:	4:4:2:1:	4:2:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:H-1:	C[3,5,6]-4:C[3,5]-4:O[6]-2:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]O[6]H)(C[5]O[5]O)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(O[6]C[6,6])(H)	C[5](C[3,5]C[3,5,6]C[3,6]H)(O[5]C[5,6])(O)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]O[6]H)(C[5]O[5]O)(H){1|H<1>,2|C<4>}	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(O[6]C[6,6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]H)(O[5]C[5,6])(O){1|C<4>,1|O<2>,3|H<1>}	117.4780	0.000	1	117.4780	0.000	1	117.4780	0.000	1	117.4780	0.000	1	119.6537	22.904	29	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5]	4:4:3:1:	4:4:3:3:	4:4:1:	C[3,6]-4:C[3,5,6]-4:C[5]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]O)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]CH)(O)	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	118.2930	0.000	1	118.2930	0.000	1	118.2930	0.000	1	118.2930	0.000	1	119.6537	22.904	29	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(H)	C[3,6](C[3,5,6]C[5,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,5,6]O)(H)	C[3,5](C[3,5,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(H){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[5,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,5,6]O)(H){2|H<1>,3|C<4>}	117.0450	1.107	2	117.0450	1.226	2	117.0450	1.226	2	119.2587	15.314	3	119.6537	22.904	29	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5,6]C[3,6]C[5,6]O)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]O)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]O)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H)	C[5](C[3,5]C[3,5,6]C[3,6]H)(N[5]C[5,6]C)(O)	C[3,5](C[3,5,6]C[3,6]C[5,6]O)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[3,5,6]C[3,5]C[5,6]O)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5](C[3,5]C[3,5,6]C[3,6]H)(N[5]C[5,6]C)(O){1|H<1>,2|C<4>,2|O<2>}	123.6860	0.000	1	123.6860	0.000	1	123.6860	0.000	1	119.2587	15.314	3	119.6537	22.904	29	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5]	4:4:3:1:	4:4:4:3:	4:4:1:	C[3,5]-4:C[3,6]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-3:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]O)(H)	C[3,6](C[3,5]C[3,5]C[5]H)2(C[6]C[6]HH)(C[6]C[6]O)	C[5](C[3,5]C[3,5]C[3,6]H)(C[5]C[5]CC)(O)	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[3,6](C[3,5]C[3,5]C[5]H)2(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,6|H<1>}	C[5](C[3,5]C[3,5]C[3,6]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,3|H<1>}	116.7400	0.000	1	116.7400	0.000	1	116.7400	0.000	1	116.7400	0.000	1	119.6537	22.904	29	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5]	4:4:3:3:	4:4:3:1:	4:2:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:C-3:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O)(COO)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(O[5]C[5,6])(O)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O)(COO){1|C<4>,1|O<1>,2|C<3>}	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5](C[3,5]C[3,5,6]C[3,6]C)(O[5]C[5,6])(O){1|C<4>,2|C<3>,2|H<1>}	115.8670	0.000	1	115.8670	0.000	1	115.8670	0.000	1	115.8670	0.000	1	119.6537	22.904	29	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:2:	C[3,5,6]-4:C[3,6]-4:C[5]-3:C-3:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]N)(COO)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]C)(NS)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]N)(COO){3|C<4>,3|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]C)(NS){2|C<4>,3|H<1>}	116.8795	0.018	2	116.8795	0.000	2	116.8795	0.000	2	116.8795	0.000	2	119.6537	22.904	29	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5]	4:4:3:3:	4:4:4:4:	4:3:1:	C[3,5]-4:C[3,6]-4:N[5]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-4:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Co)(C[5]C[5]H)	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2	C[5](C[3,5]C[3,5]C[3,6]N[5])(C[5]C[5]H)(H)	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Co)(C[5]C[5]H){2|C<3>,3|C<4>,6|H<1>}	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2{1|Co<5>,1|C<4>,4|C<3>,6|H<1>}	C[5](C[3,5]C[3,5]C[3,6]N[5])(C[5]C[5]H)(H){1|Co<5>,1|C<3>,1|N<3>,3|C<4>}	124.0240	1.333	4	124.0240	1.777	4	124.3446	1.676	8	124.3446	1.676	8	119.6537	22.904	29	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5]	4:4:3:3:	4:4:4:4:	4:3:1:	C[3,5]-4:C[3,6]-4:N[5]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-4:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Fe)(C[5]C[5]H)	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2	C[5](C[3,5]C[3,5]C[3,6]N[5])(C[5]C[5]H)(H)	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Fe)(C[5]C[5]H){2|C<3>,3|C<4>,6|H<1>}	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2{1|Fe<5>,1|C<4>,4|C<3>,6|H<1>}	C[5](C[3,5]C[3,5]C[3,6]N[5])(C[5]C[5]H)(H){1|Fe<5>,1|C<3>,1|N<3>,3|C<4>}	124.6653	1.364	4	124.6653	1.860	4	124.3446	1.676	8	124.3446	1.676	8	119.6537	22.904	29	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5]	4:4:3:4:	4:4:3:1:	4:4:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:Si-4:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5]-4:C[3,5]-4:O-1:	C[3,5](C[3,5,6]C[3,5,6]C[3,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(SiC3)	C[3,6](C[3,5,6]C[3,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]Si)(C[6]C[6]H)(H)	C[5](C[3,5]C[3,5,6]C[3,6]Si)2(O)	C[3,5](C[3,5,6]C[3,5,6]C[3,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(SiC3){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[3,5,6]C[3,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]Si)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]Si)2(O){2|C<3>,4|H<1>}	113.7250	0.232	2	113.7250	0.054	2	113.7250	0.054	2	113.7250	0.054	2	119.6537	22.904	29	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5]	4:4:3:4:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:C-4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(CCCH)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]CH)(H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]C)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(CCCH){4|H<1>,5|C<4>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	113.0780	0.000	1	113.0780	0.000	1	113.0780	0.000	1	113.0780	0.000	1	119.6537	22.904	29	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:S-4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]HH)(H)	C[5](C[3,5]C[3,5,6]C[3,6]S)(C[5]C[5,6]HH)(O)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[3,5]C[3,5,6]C[3,6]S)(C[5]C[5,6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	118.2135	1.300	2	118.2135	1.691	2	114.8120	16.459	4	114.8120	16.459	4	119.6537	22.904	29	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3,6]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:S-4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]CH)(H)	C[5](C[3,5]C[3,5,6]C[3,6]S)(C[5]C[5]HH)(O)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){4|C<4>,6|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,5|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]S)(C[5]C[5]HH)(O){2|C<4>,3|H<1>}	111.4105	1.186	2	111.4105	1.406	2	114.8120	16.459	4	114.8120	16.459	4	119.6537	22.904	29	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[5,6,6]-3:C[3,5]-4:C[6]-4:	C[3,5](C[5,6]C[5,6,6]C[6])(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H)	C[3](C[3,5]C[3,5]C[5,6]H)2(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)	C[3,5](C[5,6]C[5,6,6]C[6])(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H){2|H<1>,4|C<4>}	C[3](C[3,5]C[3,5]C[5,6]H)2(H)2{1|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH){5|C<4>,5|H<1>}	114.5660	0.000	1	114.5660	0.000	1	114.5660	0.000	1	114.5660	0.000	1	122.5977	49.561	3	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5,6]	3:4:4:3:	4:4:1:1:	4:4:3:	C[5,6]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-3:	C[3,5](C[5,6]C[5,6]C[6])(C[3]C[3]HH)2(C[5]C[5]O)	C[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH)(H)2	C[5,6](C[3,5]C[3]2C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	C[3,5](C[5,6]C[5,6]C[6])(C[3]C[3]HH)2(C[5]C[5]O){3|C<4>,3|H<1>}	C[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5,6](C[3,5]C[3]2C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]C){10|H<1>,1|N<3>,1|O<1>}	126.6135	1.537	2	126.6135	2.361	2	126.6135	2.361	2	126.6135	2.361	2	122.5977	49.561	3	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:3:4:4:	4:4:3:2:	3:4:1:	C[5]-3:C[5]-3:C[3]-4:C[3]-4:	C[3,5]-4:C[3]-4:C-3:C-2:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[5]C[5,6a]O)2(C[3]C[3]CC)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(COO)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	C[3,5](C[5]C[5,6a]O)2(C[3]C[3]CC)2{2|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(COO)(CN){2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|H<1>,1|O<1>,2|C<2>,4|C<3>}	121.3946	2.743	8	121.3946	7.524	8	121.3946	7.524	8	121.3946	7.524	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:3:2:	4:2:1:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(H)2	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>}	120.6000	0.000	1	120.6000	0.000	1	120.6000	0.000	1	120.6000	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:3:2:	4:2:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	116.1960	0.000	1	116.1960	0.000	1	118.1911	3.113	8	118.1911	3.113	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:3:2:	4:2:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>}	115.3310	0.000	1	115.3310	0.000	1	118.1911	3.113	8	118.1911	3.113	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:3:2:	4:2:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CNO)(H)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CNO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	118.5906	0.409	5	118.5906	0.167	5	118.1911	3.113	8	118.1911	3.113	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:3:2:	4:2:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(COO)(H)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	121.0490	0.000	1	121.0490	0.000	1	118.1911	3.113	8	118.1911	3.113	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:3:2:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:3:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[3,5]-4:N[3]-3:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S)	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]S)(H)2	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]S)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O){1|S<3>,2|C<3>,2|H<1>}	120.4750	0.000	1	120.4750	0.000	1	120.4750	0.000	1	120.4750	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:3:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[3,5]-4:N[3]-3:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C)	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]C)(COO)(H)	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]C)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	119.8665	5.942	2	119.8665	35.305	2	119.8665	35.305	2	118.0440	27.617	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:3:3:	4:3:3:1:	4:3:1:	N[3,5]-3:C[3]-4:C[5]-3:C[6a]-3:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[5,6a]-3:O-1:	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[5,6a]C[3,5])(CC[6a]O)(H)	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(O)	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[5,6a]C[3,5])(CC[6a]O)(H){1|O<1>,4|C<3>}	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,5|C<3>}	114.3990	0.000	1	114.3990	0.000	1	114.3990	0.000	1	118.0440	27.617	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:3:4:	4:4:1:1:	3:4:1:	C[5,6a]-3:C[3]-4:C[5]-3:C[3]-4:	C[3,5]-4:C[3]-4:Br-1:Br-1:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(Br)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(O)	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(Br)2{1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(O){2|Br<1>,2|H<1>,4|C<3>}	118.7025	0.275	2	118.7025	0.076	2	118.7025	0.076	2	118.7025	0.076	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:3:4:	4:4:3:1:	3:4:1:	C[5,6a]-3:C[3]-4:C[5]-3:C[3]-4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(O)	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(O){2|Br<1>,2|H<1>,4|C<3>}	118.7035	1.534	2	118.7035	2.352	2	118.7035	2.352	2	118.7035	2.352	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:2:1:	C[5]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[5]C[6a]C[5])(C[3]C[3]HH)2(C[5]O[5]O)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[3]2C[5])(O[5]C[5])(O)	C[3,5](C[5]C[6a]C[5])(C[3]C[3]HH)2(C[5]O[5]O){3|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[3,5]C[3]2C[5])(O[5]C[5])(O){2|C<3>,4|H<1>}	119.0485	1.016	2	119.0485	1.032	2	119.0485	1.032	2	119.0485	1.032	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:Br-1:Br-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(Br)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(Br)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|Br<1>,1|H<1>,3|C<3>}	116.6960	0.000	1	116.6960	0.000	1	116.6960	0.000	1	118.6796	4.667	21	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3]C[3]HH)2(C[5]C[5]H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H)	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3]C[3]HH)2(C[5]C[5]H){1|C<4>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H){2|C<3>,4|H<1>}	120.1515	0.627	2	120.1515	0.393	2	120.1515	0.393	2	118.6796	4.667	21	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	118.5320	0.000	1	118.5320	0.000	1	118.6263	4.978	18	118.6796	4.667	21	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,1|S<4>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O){2|H<1>,4|C<3>}	118.4050	0.000	1	118.4050	0.000	1	118.6263	4.978	18	118.6796	4.667	21	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|Br<1>,1|C<4>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	117.9980	0.000	1	120.6097	1.876	6	118.6263	4.978	18	118.6796	4.667	21	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	121.1320	0.547	5	120.6097	1.876	6	118.6263	4.978	18	118.6796	4.667	21	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C[6a])(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O){1|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C[6a])(O){4|C<3>,4|H<1>}	118.4765	0.115	2	118.4765	0.013	2	118.6263	4.978	18	118.6796	4.667	21	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O){2|C<3>,4|H<1>}	118.8890	1.202	2	118.8890	1.445	2	118.6263	4.978	18	118.6796	4.667	21	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	117.1530	0.000	1	117.1530	0.000	1	118.6263	4.978	18	118.6796	4.667	21	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	119.7530	0.000	1	119.7530	0.000	1	118.6263	4.978	18	118.6796	4.667	21	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	114.7027	0.339	3	115.7602	4.551	4	118.6263	4.978	18	118.6796	4.667	21	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	118.9330	0.000	1	115.7602	4.551	4	118.6263	4.978	18	118.6796	4.667	21	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:3:2:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]N)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(NS)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]N){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(NS){2|C<3>,4|H<1>}	119.7350	2.038	2	119.7350	4.153	2	121.2110	8.612	3	121.2110	8.612	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:3:2:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(NS)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2{1|N<2>,1|N<3>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(NS){3|C<3>,3|H<1>}	124.1630	0.000	1	124.1630	0.000	1	121.2110	8.612	3	121.2110	8.612	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-3:C[6a]-3:	C[3,5](C[5]C[6a]C[5])(C[3]C[3]HH)2(C[5]O[5]O)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[3,5](C[5]C[6a]C[5])(C[3]C[3]HH)2(C[5]O[5]O){3|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2){1|O<1>,4|C<3>,6|H<1>}	124.9750	1.659	2	124.9750	2.752	2	124.9750	2.752	2	124.9750	2.752	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:	C[5,6]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[5,6]C[5,6]C[6])(C[3]C[3]HH)2(C[5]C[5]O)	C[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[5,6]C[3]2)(C[5]C[5,6]HH)(O)	C[3,5](C[5,6]C[5,6]C[6])(C[3]C[3]HH)2(C[5]C[5]O){3|C<4>,3|H<1>}	C[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5](C[3,5]C[5,6]C[3]2)(C[5]C[5,6]HH)(O){1|C<3>,1|C<4>,5|H<1>}	115.8940	0.786	2	115.8940	0.618	2	115.8940	0.618	2	115.8940	0.618	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]S[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,4|C<3>}	122.0790	0.000	1	122.0790	0.000	1	122.0790	0.000	1	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3,6]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]2)(CC[6a]O)(H)	C[5](C[3,5]C[5,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]2)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	117.4830	0.000	1	117.4830	0.000	1	117.4830	0.000	1	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3,5]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	124.8910	0.000	1	124.8910	0.000	1	124.8910	0.000	1	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(CC[6a]O)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	115.2765	0.411	2	115.2765	0.169	2	117.3685	8.749	20	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(COO)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	115.1590	0.000	1	115.1590	0.000	1	117.3685	8.749	20	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(CCH)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(CCH)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	120.8953	1.421	3	120.8953	2.019	3	117.3685	8.749	20	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(COO)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|Br<1>,1|C<4>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	119.4100	0.000	1	119.6220	0.189	3	117.3685	8.749	20	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(COO)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	119.7280	0.557	2	119.6220	0.189	3	117.3685	8.749	20	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CNO)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CNO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O){1|C<4>,2|H<1>,3|C<3>}	113.9515	0.424	2	113.9515	0.179	2	117.3685	8.749	20	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	115.8920	0.000	1	115.8920	0.000	1	117.3685	8.749	20	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(CC[6a]O)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(CC[6a]O)(H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	113.9690	0.000	1	113.9690	0.000	1	117.3685	8.749	20	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CCO)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CCO)(H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	116.9730	5.609	2	116.9730	31.458	2	117.3685	8.749	20	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	120.0360	0.870	2	120.0360	0.756	2	117.3685	8.749	20	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O){2|H<1>,4|C<3>}	116.1060	0.000	1	116.1060	0.000	1	117.3685	8.749	20	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(COO)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(COO)(H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	117.9360	0.000	1	117.9360	0.000	1	117.3685	8.749	20	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(COO)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(COO)(H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O){2|H<1>,4|C<3>}	114.2820	0.000	1	114.2820	0.000	1	117.3685	8.749	20	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|Br<1>,1|H<1>,3|C<3>}	114.7570	0.000	1	114.7570	0.000	1	118.7270	7.939	14	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	116.2607	1.017	3	118.2233	8.804	6	118.7270	7.939	14	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	120.2450	0.000	1	118.2233	8.804	6	118.7270	7.939	14	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	120.1565	4.340	2	118.2233	8.804	6	118.7270	7.939	14	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O){2|H<1>,4|C<3>}	122.3930	0.132	2	122.3930	0.017	2	118.7270	7.939	14	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	117.7710	0.000	1	117.7710	0.000	1	118.7270	7.939	14	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	119.9287	0.643	3	118.8810	4.666	4	118.7270	7.939	14	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	115.7380	0.000	1	118.8810	4.666	4	118.7270	7.939	14	118.2162	9.652	37	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:1:	4:3:2:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(NS)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(NS){3|C<3>,3|H<1>}	118.6270	0.000	1	118.6270	0.000	1	118.6270	0.000	1	118.6270	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:C-3:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)2	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]H){1|Br<1>,1|C<2>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)2{1|H<1>,3|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H){1|C<4>,1|H<1>,4|C<3>}	116.3940	0.000	1	116.3940	0.000	1	116.3940	0.000	1	116.1504	4.189	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:C-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CCO)(COO)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CCO)(COO){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	113.6760	1.154	2	113.6760	1.332	2	115.2792	3.845	5	116.1504	4.189	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:C-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	118.2590	0.000	1	118.2590	0.000	1	115.2792	3.845	5	116.1504	4.189	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:C-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(CC[6a]C)(COO)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(CC[6a]C)(COO){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	115.3620	0.000	1	115.3620	0.000	1	115.2792	3.845	5	116.1504	4.189	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-3:C-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(CC[6a]C)(COO)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,1|S<4>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(CC[6a]C)(COO){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O){2|H<1>,4|C<3>}	115.4230	0.000	1	115.4230	0.000	1	115.2792	3.845	5	116.1504	4.189	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(COO)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	117.3020	0.000	1	117.3020	0.000	1	118.2065	1.636	2	116.1504	4.189	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CSiC)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CSiC){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	119.1110	0.000	1	119.1110	0.000	1	118.2065	1.636	2	116.1504	4.189	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:3:4:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C-4:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CFHH)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CFHH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	119.1810	0.000	1	119.1810	0.000	1	119.1810	0.000	1	119.1810	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(CCCH)(H)	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]H){1|Br<1>,1|C<2>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(CCCH)(H){1|H<1>,3|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H){1|C<4>,1|H<1>,4|C<3>}	122.1430	0.000	1	122.1430	0.000	1	122.1430	0.000	1	119.7772	6.054	6	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CF3)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CF3)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	119.3430	0.000	1	119.3430	0.000	1	119.3040	5.888	5	119.7772	6.054	6	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CH3)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CH3)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O){1|C<4>,2|H<1>,3|C<3>}	119.1850	3.475	2	119.1850	12.074	2	119.3040	5.888	5	119.7772	6.054	6	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CH3)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CH3)(H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	117.0130	0.000	1	117.0130	0.000	1	119.3040	5.888	5	119.7772	6.054	6	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CH3)(H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CH3)(H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	121.7940	0.000	1	121.7940	0.000	1	119.3040	5.888	5	119.7772	6.054	6	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	3:4:4:3:	4:4:4:3:	4:3:1:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C-4:C-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(CF3)(COO)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O){1|H<1>,2|O<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(CF3)(COO){1|N<3>,3|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	118.0910	0.000	1	118.0910	0.000	1	118.0910	0.000	1	118.0910	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:2:2:	4:2:4:1:	4:3:1:	C[3]-4:C[5]-3:O[3]-2:O[5]-2:	C[3,5]-4:O[3]-2:C-4:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3]O[3]CH)(C[5]C[5]H)(O[3]C[3])(O[5]C[5])	C[3](C[3,5]C[5]O[3]O[5])(O[3]C[3,5])(CCHO)(H)	C[5](C[3,5]C[3]O[3]O[5])(C[5]C[5]H)(H)	C[3,5](C[3]O[3]CH)(C[5]C[5]H)(O[3]C[3])(O[5]C[5]){1|H<1>,1|O<1>}	C[3](C[3,5]C[5]O[3]O[5])(O[3]C[3,5])(CCHO)(H){1|H<1>,2|C<3>}	C[5](C[3,5]C[3]O[3]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>}	127.5980	0.000	1	127.5980	0.000	1	127.5980	0.000	1	127.5980	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:3:1:	4:3:3:1:	4:3:2:	C[3]-4:N[3,5]-3:C[5]-3:H-1:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:N[5]-2:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[6a]N[5])(H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[3,5]N[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[6a]N[5])(H){2|C<4>,4|C<3>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[3,5]N[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	112.7280	0.786	4	112.7280	0.617	4	112.7280	0.617	4	112.7280	0.617	4	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:3:2:	4:3:2:1:	4:2:4:	C[3]-4:C[5]-3:C[5]-3:O[3]-2:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3,5]-4:N[5]-2:C-4:	C[3,5](C[3]C[6a]O[3]H)(C[5]N[5]C)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[5](C[3,5]C[3]C[5]O[3])(N[5]N[5])(CH3)	C[3,5](C[3]C[6a]O[3]H)(C[5]N[5]C)(C[5]N[5]O)(O[3]C[3]){3|C<3>}	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3]C[5]O[3])(N[5]N[5])(CH3){1|H<1>,1|O<1>,2|C<3>}	126.8720	2.996	3	126.8720	8.979	3	126.8720	8.979	3	126.8720	8.979	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:3:2:	4:3:2:1:	4:3:1:	C[3]-4:C[5]-3:C[5]-3:O[3]-2:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[6a]O[3]H)(C[5]N[5]C)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[5](C[3,5]C[3]C[5]O[3])(N[5]C[6a]N[5])(O)	C[3,5](C[3]C[6a]O[3]H)(C[5]N[5]C)(C[5]N[5]O)(O[3]C[3]){3|C<3>}	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3]C[5]O[3])(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,3|C<3>}	121.0073	2.305	3	121.0073	5.312	3	121.0073	5.312	3	121.0073	5.312	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:3:2:	4:3:3:1:	4:3:3:	C[3]-4:N[3,5]-3:C[5]-3:C-2:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5]-4:C[5]-3:N-3:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[5]N)(CN)	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[3,5]N[3,5]C[3]C)(C[5]C[5]C)(NHH)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[5]N)(CN){1|C<2>,1|H<1>,3|C<3>}	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[3,5]N[3,5]C[3]C)(C[5]C[5]C)(NHH){2|C<3>,2|H<1>}	116.2280	0.000	1	116.2280	0.000	1	116.2280	0.000	1	116.2280	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:3:3:	4:3:3:3:	4:3:3:	C[3]-4:P[3,5]-3:C[5]-3:C[6a]-3:	C[3,5]-4:P[3,5]-3:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-3:C[6a]-3:	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2{1|C<4>,4|H<1>,8|C<3>}	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	117.2730	0.000	1	117.2730	0.000	1	117.2730	0.000	1	117.2730	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:3:4:	4:4:3:1:	3:4:1:	C[3]-4:C[5]-3:C[5]-3:C[3]-4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]CH)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]CH){4|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|O<1>,3|H<1>,4|C<3>}	123.4965	6.813	2	123.4965	46.417	2	122.0920	13.154	6	120.8160	15.627	12	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:3:4:	4:4:3:1:	3:4:1:	C[3]-4:C[5]-3:C[5]-3:C[3]-4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]CN)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CN)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]CN){4|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CN)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	122.3320	2.413	2	122.3320	5.821	2	122.0920	13.154	6	120.8160	15.627	12	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:3:4:	4:4:3:1:	3:4:1:	C[3]-4:C[5]-3:C[5]-3:C[3]-4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]HN)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HN)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]HN){4|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HN)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	120.4475	2.016	2	120.4475	4.064	2	122.0920	13.154	6	120.8160	15.627	12	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:3:4:	4:4:3:1:	3:4:1:	C[3]-4:C[5]-3:C[5]-3:C[3]-4:	C[3]-4:C[3,5]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]CH)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]CH){4|C<3>}	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CNO)(H){2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|O<1>,3|H<1>,4|C<3>}	118.8690	0.692	2	118.8690	0.478	2	118.8690	0.478	2	120.8160	15.627	12	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:3:4:	4:4:3:1:	3:4:1:	C[3]-4:C[5]-3:C[5]-3:C[3]-4:	C[3]-4:C[3,5]-4:N-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]HN)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(NOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]HN){4|C<3>}	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(NOO)(H){2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	121.5940	2.438	2	121.5940	5.944	2	121.5940	5.944	2	120.8160	15.627	12	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:3:4:	4:4:3:1:	3:4:1:	C[3]-4:C[5]-3:N[5]-3:C[3]-4:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH)	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2N[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH){4|C<3>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H){1|O<1>,1|S<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2N[5])(O){1|S<4>,3|H<1>,4|C<3>}	112.3690	0.000	1	112.3690	0.000	1	112.3690	0.000	1	120.8160	15.627	12	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:3:4:	4:4:3:1:	3:4:1:	C[3]-4:C[5]-3:N[5]-3:C[3]-4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH)	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2N[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH){4|C<3>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2N[5])(O){1|S<4>,3|H<1>,4|C<3>}	123.9450	0.000	1	123.9450	0.000	1	123.9450	0.000	1	120.8160	15.627	12	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:3:4:	4:4:4:3:	3:4:1:	C[3]-4:C[5]-3:C[5]-3:C[3]-4:	C[3]-4:C[3,5]-4:C-4:N-3:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]CN)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CH3)(NOO)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]CN){4|C<3>}	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CH3)(NOO){2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.6565	0.067	2	121.6565	0.005	2	121.6565	0.005	2	121.6565	0.005	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:4:3:	4:4:1:1:	4:3:2:	C[3,5]-4:C[5]-3:C[3]-4:C-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:N[5]-2:	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]N[5])(C[3]C[3,5]HH)(COO)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5])	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]N[5])(C[3]C[3,5]HH)(COO){1|H<1>,3|C<3>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,6|H<1>}	112.8180	0.000	1	112.8180	0.000	1	112.8180	0.000	1	112.8180	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:4:3:	4:4:3:1:	4:3:1:	C[3,5]-4:C[5,6a]-3:C[3]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O)	C[3](C[3,5]C[5,6a]C[3,5]C[5])2(CC[6a]O)(H)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C[5])2(CC[6a]O)(H){2|N<3>,2|O<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	116.9790	1.461	2	116.9790	2.134	2	116.9790	2.134	2	116.9790	2.134	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:3:4:4:	4:4:1:1:	4:3:2:	C[5]-4:C[5]-3:C[3]-4:C[3]-4:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:N[5]-2:	C[3,5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(C[3]C[3]HH)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(N[5]O[5])	C[3,5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(C[3]C[3]HH)2{4|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,3|C<3>,6|H<1>}	122.1360	3.896	2	122.1360	15.180	2	122.1360	15.180	2	122.1360	15.180	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	3:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[5,6]-3:C[3,5]-4:H-1:	C[3,5](C[3,5]C[5,6]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[5,6]H)(H)	C[3](C[3,5]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H)	C[3,5](C[3,5]C[5,6]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[3](C[3,5]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5]C[5]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H){1|C<4>,3|C<3>,3|H<1>}	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[5]H)(H)	C[3](C[3,5]C[3,5]2C[6a])(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[3,5]H)(H)	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[3](C[3,5]C[3,5]2C[6a])(C[3,5]C[3,5]C[5]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[3,5]H)(H){1|C<3>,2|C<4>,2|H<1>}	115.0540	0.000	1	115.0540	0.000	1	115.0540	0.000	1	114.1110	0.903	4	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(H)	C[3](C[3,5]C[3,5]C[5]H)2(H)2	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	C[3](C[3,5]C[3,5]C[5]H)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O){1|C<3>,4|H<1>}	113.6290	0.000	1	113.6290	0.000	1	113.7967	0.762	3	114.1110	0.903	4	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(H)	C[3](C[3,5]C[3,5]C[5]H)2(H)2	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[6a]C[5])(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	C[3](C[3,5]C[3,5]C[5]H)2(H)2{1|N<3>,2|O<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,3|H<1>}	113.8805	1.217	2	113.8805	1.481	2	113.7967	0.762	3	114.1110	0.903	4	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[3,5,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5,5]-4:C[3,5]-4:H-1:H-1:	C[5,6]-4:C[3,5]-4:O-1:	C[3,5](C[3,5,5]C[5,5,6]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5,6]O)(H)	C[3](C[3,5,5]C[5,5,6]C[3,5]C[5])(C[3,5]C[3,5,5]C[5]H)(H)2	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[3,5]C[3,5,5]C[3]H)(O)	C[3,5](C[3,5,5]C[5,5,6]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5,6]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3](C[3,5,5]C[5,5,6]C[3,5]C[5])(C[3,5]C[3,5,5]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[3,5]C[3,5,5]C[3]H)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.6520	0.000	1	118.6520	0.000	1	118.6520	0.000	1	117.2336	4.266	7	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H)	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O){2|C<4>,6|H<1>}	118.9203	0.649	3	118.9203	0.421	3	117.9548	4.010	4	117.2336	4.266	7	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H)	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(O)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(H)2{1|O<1>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(O){3|C<4>,5|H<1>}	115.0580	0.000	1	115.0580	0.000	1	117.9548	4.010	4	117.2336	4.266	7	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(H)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(H){4|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(O){1|C<4>,4|H<1>}	115.4110	0.000	1	115.4110	0.000	1	115.0820	0.216	2	117.2336	4.266	7	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(H)	C[3](C[3,5]C[3,5]C[5]H)2(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<2>,2|C<4>}	C[3](C[3,5]C[3,5]C[5]H)2(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(O){1|O<2>,4|H<1>}	114.7530	0.000	1	114.7530	0.000	1	115.0820	0.216	2	117.2336	4.266	7	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]2H)(CHH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(H)2{1|C<3>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]2H)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	118.3110	0.000	1	118.3110	0.000	1	118.4707	0.424	9	118.3364	0.558	10	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(H)2{1|C<3>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	117.9900	0.426	2	118.4906	0.481	8	118.4707	0.424	9	118.3364	0.558	10	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(H)2{1|C<3>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,2|C<4>,5|H<1>}	118.6288	0.789	5	118.4906	0.481	8	118.4707	0.424	9	118.3364	0.558	10	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(H)2{1|C<3>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|O<2>,3|C<4>,4|H<1>}	118.8010	0.000	1	118.4906	0.481	8	118.4707	0.424	9	118.3364	0.558	10	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]C)(H)	C[3](C[3,5]C[3,5]C[5]H)2(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(CHH)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]C)(H){1|H<1>,3|C<4>}	C[3](C[3,5]C[3,5]C[5]H)2(H)2{1|C<3>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(CHH){2|C<4>,3|H<1>}	117.1280	0.000	1	117.1280	0.000	1	117.1280	0.000	1	118.3364	0.558	10	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(H)	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(H){2|C<3>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(O){1|C<3>,4|H<1>}	112.5577	0.736	4	112.5577	0.542	4	112.5577	0.542	4	112.5577	0.542	4	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(C[5]C[5]H)(H)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]N[5]H)(COO)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[5]H)(H)	C[3,5](C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]N[5]H)(COO)(H){1|H<1>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[5]H)(H){2|C<3>,2|H<1>}	114.4150	0.000	1	114.4150	0.000	1	114.4150	0.000	1	114.9380	1.378	5	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5]-3:O-1:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]O)(H)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CN[5]O)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[6a]C[5])(O)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]O)(H){1|C<3>,1|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CN[5]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[6a]C[5])(O){1|C<4>,2|H<1>,3|C<3>}	114.7910	0.000	1	114.7910	0.000	1	114.7910	0.000	1	114.9380	1.378	5	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(H)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(H){2|H<1>,5|C<3>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O){2|C<3>,3|H<1>}	116.7090	0.000	1	116.7090	0.000	1	116.7090	0.000	1	114.9380	1.378	5	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H)	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O){1|C<3>,4|H<1>}	115.2460	0.000	1	115.2460	0.000	1	114.3875	1.474	2	114.9380	1.378	5	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H)	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]O)(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]O)(O){1|C<3>,4|H<1>}	113.5290	0.000	1	113.5290	0.000	1	114.3875	1.474	2	114.9380	1.378	5	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:3:1:	4:3:4:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)(H)	C[3](C[3,5]C[3,5]C[5]H)2(CCC)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[3](C[3,5]C[3,5]C[5]H)2(CCC)(H){2|C<3>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	114.6570	0.000	1	114.6570	0.000	1	114.6570	0.000	1	114.6570	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:3:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5,5]-4:O-1:	C[3,5](C[3,5]N[5,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[5,5]O)(H)	C[3](C[3,5]C[3,5]N[5,5]H)(C[3,5]C[3,5]C[5]H)(COO)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]N[5,5]C[5]H)(O)	C[3,5](C[3,5]N[5,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[5,5]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[3](C[3,5]C[3,5]N[5,5]H)(C[3,5]C[3,5]C[5]H)(COO)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]N[5,5]C[5]H)(O){1|O<2>,2|C<3>,4|H<1>}	112.8920	0.000	1	112.8920	0.000	1	112.8920	0.000	1	115.2628	6.872	6	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:3:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]N[5]H)(COO)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[5]CH)(O)	C[3,5](C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|S<4>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]N[5]H)(COO)(H){1|C<4>,1|O<1>,1|S<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[5]CH)(O){1|C<3>,1|S<4>,2|H<1>}	115.0980	0.000	1	115.0980	0.000	1	113.4155	5.662	2	115.2628	6.872	6	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:3:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(COO)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]CH)(O)	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H){1|C<4>,1|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(COO)(H){1|C<4>,1|O<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]CH)(O){1|C<3>,2|H<1>}	111.7330	0.000	1	111.7330	0.000	1	113.4155	5.662	2	115.2628	6.872	6	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:3:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5,6]-4:C-1:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]C[6a]H)(C[5]C[5,6]C)(H)	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(C)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]C[6a]H)(C[5]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|C<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(C){1|C<3>,2|C<4>,5|H<1>}	118.4720	0.000	1	118.4720	0.000	1	118.4720	0.000	1	115.2628	6.872	6	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:3:1:	4:4:1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[5]O)(H)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[5]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	116.6910	1.369	2	116.6910	1.874	2	116.6910	1.874	2	115.2628	6.872	6	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:3:3:	4:3:1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(C[5]C[5]H)(H)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]H)(H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){3|C<3>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]H)(H){1|H<1>,2|C<3>}	115.1910	0.000	1	115.1910	0.000	1	115.1910	0.000	1	115.1910	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-4:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H)	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	116.8697	0.869	4	116.8697	0.756	4	116.8697	0.756	4	116.8697	0.756	4	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:4:1:	3:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[5,6]-3:C[3,5]-4:H-1:	C[3,5](C[3,5]C[5,6]C[3]C)(C[3]C[3,5]CH)(C[5]C[5,6]H)(H)	C[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)(CCHH)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H)	C[3,5](C[3,5]C[5,6]C[3]C)(C[3]C[3,5]CH)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H){2|C<3>,2|H<1>,3|C<4>}	113.8810	0.918	2	113.8810	0.842	2	113.8810	0.842	2	114.5133	1.621	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:4:1:	3:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:Si-4:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]SiH)(C[5]C[5,6a]O)(H)	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(SiC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(O)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]SiH)(C[5]C[5,6a]O)(H){2|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(SiC3)(H){1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(O){1|Si<4>,2|C<3>,3|H<1>}	115.7780	0.000	1	115.7780	0.000	1	115.7780	0.000	1	114.5133	1.621	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:4:3:	4:3:1:	C[3,5,6]-4:C[3]-4:C[5]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C-4:C-3:	C[3,5]-4:C[5]-3:O-1:	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]CC)(C[5]C[5]O)(H)	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(CH3)(CCH)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]H)(O)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]CC)(C[5]C[5]O)(H){2|C<4>,3|H<1>}	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(CH3)(CCH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]H)(O){1|C<3>,3|C<4>}	118.3590	0.000	1	118.3590	0.000	1	118.3590	0.000	1	118.3590	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3,5]-4:C[5,6]-3:O-1:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]CC)(C[5]C[5,6]O)(H)	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(CH3)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(O)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]CC)(C[5]C[5,6]O)(H){1|C<3>,2|C<4>}	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	115.7040	0.000	1	115.7040	0.000	1	115.7040	0.000	1	115.7040	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3,5]-4:C[5,6]-4:O-1:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]CC)(C[5]C[5,6]O)(H)	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(CH3)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(O)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]CC)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(CH3)2{1|O<1>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(O){3|H<1>,5|C<4>}	118.2970	0.000	1	118.2970	0.000	1	118.2970	0.000	1	118.2970	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:2:	4:2:4:4:	4:4:3:	C[3]-4:C[5]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5](C[3]O[3]CC)(C[5]C[5]HH)(C[5]C[5]2)(O[3]C[3])	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)	C[3,5](C[3]O[3]CC)(C[5]C[5]HH)(C[5]C[5]2)(O[3]C[3]){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	125.8630	0.868	5	125.8630	0.753	5	125.8630	0.753	5	125.8630	0.753	5	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:2:	4:4:3:1:	4:2:1:	C[3,5]-4:C[3]-4:C[5]-3:C-2:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CN)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CCH)(H)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CN){2|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O){1|C<3>,4|H<1>}	110.7940	0.000	1	110.7940	0.000	1	110.7940	0.000	1	114.6530	29.784	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:2:	4:4:3:1:	4:2:1:	C[3,5]-4:C[3]-4:C[5]-3:S[5]-2:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-2:O-1:	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[3]S[5])(N[5]C[5])(O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|N<3>,1|O<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]S[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[3,5]C[3,5]C[3]S[5])(N[5]C[5])(O){1|H<1>,4|C<3>}	118.5120	0.000	1	118.5120	0.000	1	118.5120	0.000	1	114.6530	29.784	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:2:	4:4:3:1:	4:3:1:	C[3]-4:C[3]-4:C[5]-3:N[5]-2:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)(N[5]C[5])	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3]2N[5])(N[5]C[5]C)(O)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,3|C<3>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[3,5]C[3]2N[5])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	119.6620	0.000	1	119.6620	0.000	1	119.6620	0.000	1	119.6620	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:2:	4:4:4:1:	4:3:1:	C[3]-4:C[3]-4:C[5]-3:N[5]-2:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)(N[5]C[5])	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(CF3)(H)	C[5](C[3,5]C[3]2N[5])(N[5]C[5]C)(O)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,3|C<3>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(CF3)(H){1|N<3>,1|O<1>,3|C<3>}	C[5](C[3,5]C[3]2N[5])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	124.5970	0.000	1	124.5970	0.000	1	124.5970	0.000	1	124.5970	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:3:3:1:	3:4:1:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C)	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(O)	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C){4|C<3>}	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(O){1|C<4>,3|C<3>,4|H<1>}	118.1300	0.000	1	118.1300	0.000	1	118.1300	0.000	1	118.1300	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:3:3:1:	4:3:3:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[3,5]-4:C[5]-3:C-3:	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C)	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H)	C[5](C[3,5]C[3]C[5]N[3])(C[5]N[5]O)(CCH)	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C){1|C<4>,1|O<1>,2|C<3>}	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[5](C[3,5]C[3]C[5]N[3])(C[5]N[5]O)(CCH){1|C<4>,2|C<3>,3|H<1>}	120.9250	0.000	1	120.9250	0.000	1	120.9250	0.000	1	120.9250	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:1:1:	4:2:1:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]O[5]O)(COO)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]O[5]O)(COO){2|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O){5|H<1>}	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	114.6167	34.529	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:1:1:	4:2:1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]O[5]O)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(O){2|C<3>,5|H<1>}	110.3110	0.000	1	110.3110	0.000	1	110.3110	0.000	1	114.6167	34.529	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:1:1:	4:2:1:	C[3]-4:C[3]-4:C[5]-3:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3]C[3]HH)2(C[5]O[5]O)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[3]2C[5])(O[5]O[5])(O)	C[3,5](C[3]C[3]HH)2(C[5]O[5]O)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2{2|O<1>,2|O<2>}	C[5](C[3,5]C[3]2C[5])(O[5]O[5])(O){1|O<1>,4|H<1>}	121.3110	0.000	1	121.3110	0.000	1	121.3110	0.000	1	114.6167	34.529	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:1:1:	4:2:2:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:N[5]-2:S-2:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]S)(CC[6a]O)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5])(SC)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]S)(CC[6a]O){2|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2{1|N<2>,1|S<2>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5])(SC){5|H<1>}	111.0625	0.308	2	111.0625	0.095	2	111.0625	0.095	2	111.0625	0.095	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]O)(CC[6a]O)	C[3](C[3,5]C[3,5]C[5]C)2(H)2	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(O)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]O)(CC[6a]O){1|S<4>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]C)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(O){1|C<4>,4|H<1>}	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	118.5920	48.667	4	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|S<4>,2|C<3>,3|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(O){2|C<3>,5|H<1>}	113.0130	0.000	1	113.0130	0.000	1	113.0130	0.000	1	118.5920	48.667	4	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C[5]-3:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3]C[3]HH)2(C[5]C[5]H)(C[5]C[5]O)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[3]2C[5])(C[5]C[5]C)(H)	C[3,5](C[3]C[3]HH)2(C[5]C[5]H)(C[5]C[5]O){1|C<3>,2|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[3,5]C[3]2C[5])(C[5]C[5]C)(H){1|O<1>,6|H<1>}	124.6180	0.593	2	124.6180	0.351	2	124.6180	0.351	2	118.5920	48.667	4	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:1:1:	4:3:2:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]N)(COO)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NP)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]N)(COO){1|C<4>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NP){5|H<1>}	112.7340	0.000	1	112.7340	0.000	1	113.0005	0.142	2	113.4790	0.758	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:1:1:	4:3:2:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]N)(COO)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NS)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]N)(COO){1|C<4>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NS){5|H<1>}	113.2670	0.000	1	113.2670	0.000	1	113.0005	0.142	2	113.4790	0.758	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:1:1:	4:3:2:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]N)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(NC[6a])	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]N){1|S<4>,2|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(NC[6a]){2|C<3>,5|H<1>}	114.4360	0.000	1	114.4360	0.000	1	114.4360	0.000	1	113.4790	0.758	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:1:1:	4:4:1:	C[3,5,6]-4:C[3]-4:C[5]-3:C[6]-3:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]O)(C[6]C[6]2)	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C[6])(H)2	C[5](C[3,5]C[3,5,6]C[3]C[6])(C[5]C[5,6]HH)(O)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]O)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C[6])(H)2{1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5](C[3,5]C[3,5,6]C[3]C[6])(C[5]C[5,6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	111.8290	0.000	1	111.8290	0.000	1	111.8290	0.000	1	115.8450	5.327	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:1:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	115.2935	1.002	2	115.4252	0.302	5	115.4252	0.302	5	115.8450	5.327	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:1:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	115.5130	0.269	3	115.4252	0.302	5	115.4252	0.302	5	115.8450	5.327	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:1:1:	4:4:1:	C[3]-4:C[3]-4:C[5]-3:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3]C[3]HH)2(C[5]C[5]H)(C[5]C[5]O)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(O)	C[3,5](C[3]C[3]HH)2(C[5]C[5]H)(C[5]C[5]O){1|C<3>,2|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(O){1|C<3>,5|H<1>}	118.9025	0.612	2	118.9025	0.374	2	118.9025	0.374	2	115.8450	5.327	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:2:2:	4:2:3:	C[3]-4:C[3]-4:C[5]-3:C[5]-3:	C[3]-4:C[3,5]-4:C-2:C-2:	C[3,5]-4:N[5]-2:C-3:	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[5]N[5]C)(C[5]N[5]O)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)2	C[5](C[3,5]C[3]2C[5])(N[5]N[5])(COO)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[5]N[5]C)(C[5]N[5]O){3|C<3>}	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)2{1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[3,5]C[3]2C[5])(N[5]N[5])(COO){1|H<1>,1|O<1>,2|C<2>,2|C<3>}	124.1180	0.000	1	124.1180	0.000	1	124.1180	0.000	1	124.1180	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:2:2:	4:3:1:	C[3]-4:C[3]-4:C[5]-3:C[5]-3:	C[3]-4:C[3,5]-4:C-2:C-2:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[5]N[5]C)(C[5]N[5]O)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)2	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]N[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[5]N[5]C)(C[5]N[5]O){3|C<3>}	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)2{1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]N[5])(O){1|H<1>,2|C<2>,4|C<3>}	116.6450	0.000	1	116.6450	0.000	1	116.6450	0.000	1	116.6450	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:3:1:	4:2:1:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CC[6a]N)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(COO)(H)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CC[6a]N){2|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(COO)(H){1|O<1>,1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O){1|C<3>,4|H<1>}	116.0920	0.000	1	116.0920	0.000	1	116.0920	0.000	1	114.0512	11.163	6	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:3:1:	4:2:1:	C[3]-4:C[3,5]-4:C[5]-3:C-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(COO)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(COO){1|H<1>,3|C<3>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O){2|C<3>,3|H<1>}	111.1123	0.490	3	111.1123	0.240	3	111.1123	0.240	3	114.0512	11.163	6	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:3:1:	4:2:1:	C[3]-4:C[3,5]-4:C[5]-3:N-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(NOO)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[3]N)(O[5]C[5])(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(NOO){2|C<3>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]N)(O[5]C[5])(O){1|C<3>,4|H<1>}	117.4390	1.517	2	117.4390	2.303	2	117.4390	2.303	2	114.0512	11.163	6	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:3:1:	4:2:3:	C[3]-4:C[3]-4:C[5]-3:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-2:C-3:	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[5]N[5]C)(C[5]N[5]O)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3]2C[5])(N[5]N[5])(COO)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[5]N[5]C)(C[5]N[5]O){3|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[3,5]C[3]2C[5])(N[5]N[5])(COO){1|H<1>,1|O<1>,2|C<2>,2|C<3>}	123.9210	0.000	1	123.9210	0.000	1	123.9210	0.000	1	123.9210	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3]-4:C[3,5]-4:C[5]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]C[5,6a]O)2	C[3](C[3,5]C[3,5]C[5]2)2(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]C[5,6a]O)2{2|O<1>,6|C<3>}	C[3](C[3,5]C[3,5]C[5]2)2(C[6a]C[6a]2)(H){2|H<1>,4|O<1>,6|C<3>}	C[5](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,5|C<3>}	123.0768	4.406	4	123.0768	19.411	4	123.0768	19.411	4	119.9144	36.605	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	112.0690	0.520	2	112.0690	0.271	2	112.0690	0.271	2	119.9144	36.605	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3]-4:C[3]-4:C[5]-3:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[3]CH)2(C[5]N[5]C)(C[5]N[5]O)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(CC[6a]O)(H)	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]N[5])(O)	C[3,5](C[3]C[3]CH)2(C[5]N[5]C)(C[5]N[5]O){1|C<3>,1|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(CC[6a]O)(H){1|C<4>,1|O<1>,2|N<3>}	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]N[5])(O){2|C<4>,3|C<3>,3|H<1>}	117.5620	0.000	1	117.5620	0.000	1	117.5620	0.000	1	119.9144	36.605	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:3:1:	4:3:1:	C[3]-4:C[3]-4:C[5]-3:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[5]N[5]C)(C[5]N[5]O)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]N[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[5]N[5]C)(C[5]N[5]O){3|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]N[5])(O){1|H<1>,2|C<2>,4|C<3>}	125.3080	0.000	1	125.3080	0.000	1	125.3080	0.000	1	119.9144	36.605	8	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:3:1:	4:3:2:	C[3,5]-4:C[3]-4:C[5]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:N[5]-2:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]C[5,5])	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,9|C<3>}	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]C[5,5]){3|H<1>,8|C<3>}	107.0900	0.542	2	107.0900	0.293	2	107.0900	0.293	2	108.9513	4.750	4	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:3:1:	4:3:2:	C[3]-4:C[3,5]-4:C[5]-3:C-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:N[5]-2:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5])(COO)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5])	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5])(COO){2|H<1>,4|C<3>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<3>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,6|H<1>}	110.8125	0.316	2	110.8125	0.100	2	110.8125	0.100	2	108.9513	4.750	4	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:3:1:	4:3:4:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)(COO)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(COO)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(CHHO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)(COO){1|O<2>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(CHHO){1|C<3>,1|O<2>,3|H<1>}	112.1690	0.000	1	112.1690	0.000	1	112.1690	0.000	1	120.2645	131.074	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:3:1:	4:3:4:	C[3]-4:C[3]-4:C[5]-3:C[5]-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3,5]-4:N[5]-3:C-4:	C[3,5](C[3]C[3]CH)2(C[5]N[5]C)(C[5]N[5]O)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(CC[6a]O)(H)	C[5](C[3,5]C[3]2C[5])(N[5]N[5]H)(CH3)	C[3,5](C[3]C[3]CH)2(C[5]N[5]C)(C[5]N[5]O){1|C<3>,1|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(CC[6a]O)(H){1|C<4>,1|O<1>,2|N<3>}	C[5](C[3,5]C[3]2C[5])(N[5]N[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	128.3600	0.000	1	128.3600	0.000	1	128.3600	0.000	1	120.2645	131.074	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:3:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2)	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(COO)(H)	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(COO)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,4|H<1>}	112.8590	0.000	2	112.8590	0.000	2	112.8590	0.000	2	112.7480	0.037	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:3:1:	4:4:1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]O)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(CCH)(H)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]CH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,5|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]CH)(O){3|C<3>,4|H<1>}	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	112.7480	0.037	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:3:3:	4:3:1:	C[3]-4:P[3,5]-4:C[6a]-3:C[5]-3:	C[3,5]-4:P[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]S[5]W)(C[6a]C[6a]2)(C[5]C[5]H)	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]S[5]W)(C[6a]C[6a]2)2	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]S[5])(H)	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]S[5]W)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,7|C<3>}	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]S[5]W)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]S[5])(H){1|W<6>,6|C<3>}	114.1780	0.000	2	114.1780	0.000	2	114.1780	0.000	2	114.1780	0.000	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:4:1:	4:2:1:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CC[6a]N)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CH3)(H)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CC[6a]N){2|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O){1|C<4>,4|H<1>}	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[3]-4:C[3]-4:C[5]-3:C[5]-3:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[3]CH)2(C[5]N[5]C)(C[5]N[5]O)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(CHHN)(H)	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]N[5])(O)	C[3,5](C[3]C[3]CH)2(C[5]N[5]C)(C[5]N[5]O){1|C<3>,1|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(CHHN)(H){1|C<4>,1|O<1>,2|N<3>}	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]N[5])(O){2|C<4>,3|C<3>,3|H<1>}	121.6750	0.000	1	121.6750	0.000	1	121.6750	0.000	1	121.6750	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3,5]-4:C[5]-3:C-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)(COO)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CHOO)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(COO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)(COO){3|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CHOO)(H){2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(COO){1|C<4>,4|H<1>}	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:4:1:	4:3:4:	C[3]-4:C[3]-4:C[5]-3:C[5]-3:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3,5]-4:N[5]-3:C-4:	C[3,5](C[3]C[3]CH)2(C[5]N[5]C)(C[5]N[5]O)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(CHHN)(H)	C[5](C[3,5]C[3]2C[5])(N[5]N[5]H)(CH3)	C[3,5](C[3]C[3]CH)2(C[5]N[5]C)(C[5]N[5]O){1|C<3>,1|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(CHHN)(H){1|C<4>,1|O<1>,2|N<3>}	C[5](C[3,5]C[3]2C[5])(N[5]N[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	123.8730	0.000	1	123.8730	0.000	1	123.8730	0.000	1	123.8730	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:4:3:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:C-4:C-3:	C[3,5]-4:C[5,6a]-3:O-1:	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(C[5]C[5,6a]O)2	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(CF3)(COO)	C[5](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(CF3)(COO){1|N<3>,3|O<1>,4|C<3>}	C[5](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	123.0615	9.641	2	123.0615	92.957	2	123.0615	92.957	2	123.0615	92.957	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:3:	4:4:4:4:	4:2:1:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]O[5]O)(COO)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CH3)2	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]O[5]O)(COO){1|C<4>,1|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CH3)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O){2|H<1>,3|C<4>}	114.6650	0.000	1	114.6650	0.000	1	114.6650	0.000	1	114.6650	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]O[5]O)(CH3)	C[3](C[3,5]C[3,5]C[5]Br)(C[3,5]C[3,5]C[5]C)(H)2	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C[3](C[3,5]C[3,5]C[5]Br)(C[3,5]C[3,5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O){1|Br<1>,1|C<3>,3|H<1>}	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(CH3)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O){1|C<3>,4|H<1>}	112.3070	0.000	1	112.3070	0.000	1	112.3070	0.000	1	113.3160	2.036	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[5,5]C[3]C)(C[3]C[3,5]HH)(C[5]C[5]H)(SC[6a]OO)	C[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5]S)(H)2	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5,5]C)(H)	C[3,5](C[3,5]C[5,5]C[3]C)(C[3]C[3,5]HH)(C[5]C[5]H)(SC[6a]OO){3|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5]S)(H)2{1|H<1>,3|C<3>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5,5]C)(H){1|C<4>,2|C<3>,2|H<1>}	114.3250	0.000	1	114.3250	0.000	1	114.3250	0.000	1	113.3160	2.036	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[3](C[3,5]C[3,5]C[5]Br)(C[3,5]C[3,5]C[5]S)(H)2	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3](C[3,5]C[3,5]C[5]Br)(C[3,5]C[3,5]C[5]S)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O){1|Br<1>,4|H<1>}	116.5330	0.013	2	116.5330	0.000	2	116.2042	0.680	5	116.2042	0.680	5	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]S)(H)2	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]S)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O){1|C<4>,4|H<1>}	116.5470	0.000	1	116.5470	0.000	1	116.2042	0.680	5	116.2042	0.680	5	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]S)(H)2	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]S)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O){5|H<1>}	115.7040	1.373	2	115.7040	1.886	2	116.2042	0.680	5	116.2042	0.680	5	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:4:	4:4:1:1:	4:4:2:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N-2:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]N)(SC[6a]OO)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]S)(H)2	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(NO)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]N)(SC[6a]OO){4|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]S)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(NO){1|C<4>,4|H<1>}	115.4600	0.000	1	115.4600	0.000	1	115.4600	0.000	1	115.4600	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:4:	4:4:1:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]C)(CH3)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(H)2{1|C<4>,3|C<3>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]H){2|C<3>,3|H<1>}	114.9620	0.000	1	114.9620	0.000	1	114.9620	0.000	1	114.9620	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:4:	4:4:2:1:	3:4:1:	C[3]-4:C[5]-4:C[5]-3:C[3]-4:	C[3]-4:C[3,5]-4:C-2:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[3]C[3]CH)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[3]C[3]CH){4|C<3>}	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|C<2>,3|C<3>,5|H<1>}	114.8270	0.000	1	114.8270	0.000	1	114.8270	0.000	1	114.8270	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:4:	4:4:3:1:	3:4:1:	C[3]-4:C[5]-4:C[5]-3:C[3]-4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[3]C[3]CH)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[3]C[3]CH){4|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|C<2>,3|C<3>,5|H<1>}	119.2450	0.000	1	119.2450	0.000	1	119.2450	0.000	1	119.2450	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:4:	4:4:3:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]H)(CCHH)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CN[5]O)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[6a]C[5])(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]H)(CCHH){1|C<3>,1|O<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CN[5]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[6a]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	111.9520	3.875	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:4:	4:4:3:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(CH3)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,4|C<3>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	113.0885	0.018	2	113.0885	0.000	2	113.0885	0.000	2	111.9520	3.875	3	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:4:	4:4:4:4:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:P-4:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(PC[6a]2O)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]P)(CH3)2	C[5](C[3,5]C[3,5]C[3]P)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(PC[6a]2O){4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]P)(CH3)2{1|C<4>,1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]P)(C[5]C[5]HH)(O){2|C<4>,3|H<1>}	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	114.1050	0.108	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:3:4:	4:4:4:4:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(SC[6a]OO)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]S)(CH3)2	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]S)(CH3)2{1|C<4>,1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O){2|C<4>,3|H<1>}	114.3370	0.000	1	114.3370	0.000	1	114.3370	0.000	1	114.1050	0.108	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[3]-4:C[3]-4:C[5]-4:C[5]-3:	C[3]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]CH)(C[5]O[5]O)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(H)2	C[5](C[3,5]C[3]2C[5])(O[5]C[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3]2C[5])(O[5]C[5])(O){1|C<3>,2|C<4>,5|H<1>}	115.1180	0.000	1	115.1180	0.000	1	117.7608	4.629	4	117.7608	4.629	4	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[3]-4:C[3]-4:C[5]-4:C[5]-3:	C[3]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]HH)(C[5]O[5]O)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(H)2	C[5](C[3,5]C[3]2C[5])(O[5]C[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|H<1>}	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3]2C[5])(O[5]C[5])(O){1|C<3>,7|H<1>}	118.6417	1.513	3	118.6417	2.288	3	117.7608	4.629	4	117.7608	4.629	4	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[3,5]-4:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3]HH)2(C[5]C[5]H)	C[3](C[3,5]C[3,5]C[3]C[5])(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]C[3]2)(C[5]C[3,5]H)(H)	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3]HH)2(C[5]C[5]H){2|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[3]C[5])(C[3]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]2)(C[5]C[3,5]H)(H){1|C<3>,1|C<4>,5|H<1>}	121.2915	0.375	2	121.2915	0.141	2	121.2915	0.141	2	120.0230	5.540	10	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3]C[3]HH)2(C[5]C[5]HN)(C[5]C[5]H)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[3]2C[5])(C[5]C[5]H)(H)	C[3,5](C[3]C[3]HH)2(C[5]C[5]HN)(C[5]C[5]H){1|C<3>,2|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[3,5]C[3]2C[5])(C[5]C[5]H)(H){1|C<3>,1|N<3>,6|H<1>}	121.9610	2.861	2	121.9610	8.185	2	121.9610	8.185	2	120.0230	5.540	10	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[3]HH)2(C[5]C[5]CO)(C[5]N[5]O)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]C[5])(O)	C[3,5](C[3]C[3]HH)2(C[5]C[5]CO)(C[5]N[5]O){1|C<3>,2|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]C[5])(O){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	117.0520	1.646	2	117.0520	2.710	2	117.0520	2.710	2	120.0230	5.540	10	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,5,6]-4:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3]C[3]HH)2(C[5]C[5]H)	C[3](C[3,5]C[5,5,6]C[3]C[5])(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[5,5,6]C[3]2)(C[5]C[5,5,6]H)(H)	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3]C[3]HH)2(C[5]C[5]H){1|C<3>,2|C<4>,3|H<1>}	C[3](C[3,5]C[5,5,6]C[3]C[5])(C[3]C[3,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,5,6]C[3]2)(C[5]C[5,5,6]H)(H){2|C<4>,6|H<1>}	121.3090	1.414	2	121.3090	2.000	2	121.3090	2.000	2	120.0230	5.540	10	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,5]-4:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,5]C[5,5]C[6a]O[5])(C[3]C[3]HH)2(C[5]N[5]O)	C[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[5,5]C[3]2)(N[5]C[5,5]C[6a])(O)	C[3,5](C[5,5]C[5,5]C[6a]O[5])(C[3]C[3]HH)2(C[5]N[5]O){1|H<1>,5|C<3>}	C[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5](C[3,5]C[5,5]C[3]2)(N[5]C[5,5]C[6a])(O){1|O<2>,4|C<3>,5|H<1>}	118.5015	0.706	2	118.5015	0.499	2	118.5015	0.499	2	120.0230	5.540	10	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:4:3:	4:4:1:1:	4:3:3:	C[5]-4:C[3]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-3:C-3:	C[3,5](C[5]C[6a]2O[5])(C[3]C[3]HH)2(C[5]C[5]C)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2	C[5](C[3,5]C[3]2C[5])(C[5]O[5]C)(COO)	C[3,5](C[5]C[6a]2O[5])(C[3]C[3]HH)2(C[5]C[5]C){1|C<4>,4|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(H)2{1|O<2>,4|C<3>}	C[5](C[3,5]C[3]2C[5])(C[5]O[5]C)(COO){2|C<3>,4|H<1>}	123.3095	4.810	2	123.3095	23.140	2	123.3095	23.140	2	123.3095	23.140	2	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:4:3:	4:4:3:1:	4:2:1:	C[3]-4:C[3]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]CH)(C[5]O[5]O)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3]2C[5])(O[5]C[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3]2C[5])(O[5]C[5])(O){1|C<3>,2|C<4>,5|H<1>}	116.8690	0.000	1	116.8690	0.000	1	116.7140	0.145	4	116.7140	0.145	4	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:4:3:	4:4:3:1:	4:2:1:	C[3]-4:C[3]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]HH)(C[5]O[5]O)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3]2C[5])(O[5]C[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[3,5]C[3]2C[5])(O[5]C[5])(O){1|C<3>,7|H<1>}	116.6623	0.448	3	116.6623	0.201	3	116.7140	0.145	4	116.7140	0.145	4	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,5]	C[3]	C[5]	4:4:4:3:	4:4:3:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5]-3:O-1:	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O)	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[3]C[5])(C[5]N[5]O)(O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O){1|N<3>,2|O<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[5](C[3,5]C[3,5]C[3]C[5])(C[5]N[5]O)(O){3|H<1>,4|C<3>}	117.9070	0.000	1	117.9070	0.000	1	117.9070	0.000	1	117.9070	0.000	1	117.8521	17.011	295	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3,6]	C[3]	C[5,6]	3:3:4:4:	4:4:1:1:	4:3:4:	C[6,6a]-3:C[5,6]-3:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:C[5,6]-3:C[5]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[3]C[3]HH)2	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(H)2	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5,5]C[6])(C[5]C[5]HH)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[3]C[3]HH)2{2|C<4>,3|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(H)2{1|C<4>,3|C<3>}	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5,5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,6|H<1>}	116.9425	0.846	2	116.9425	0.716	2	116.9425	0.716	2	116.9425	0.716	2	116.9425	0.716	2	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3,5]	C[5,6]	3:4:4:3:	4:4:2:3:	4:3:4:	C[5,6]-3:C[3,5]-4:C[3,5]-4:C-3:	C[3,5]-4:C[3]-4:O[5]-2:C-3:	C[5,5,6]-4:C[5,6]-3:C[3]-4:	C[3](C[5,6]C[5,5,6]C[5,6])(C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]O[5]C)(COO)	C[3,5](C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[5,6]C)(O[5]N[5,6])(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C)	C[3](C[5,6]C[5,5,6]C[5,6])(C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]O[5]C)(COO){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[3,5](C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[5,6]C)(O[5]N[5,6])(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C){1|C<4>,1|O<2>,5|C<3>}	121.8990	0.000	1	121.8990	0.000	1	121.8990	0.000	1	121.8990	0.000	1	121.0425	1.467	2	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3,5]	C[5,6]	3:4:4:3:	4:4:4:3:	4:3:4:	C[5,6]-3:C[3,5]-4:C[3,5]-4:C-3:	C[5,6]-4:C[3]-4:C[3,5]-4:C-3:	C[5,5,6]-4:C[5,6]-3:C[3]-4:	C[3](C[5,6]C[5,5,6]C[5,6])(C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]O[5]C)(COO)	C[3,5](C[5,6]C[6,6a]N[5,6]H)(C[3]C[3,5]C[5,6]C)(C[3,5]C[3]O[5]C)(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C)	C[3](C[5,6]C[5,5,6]C[5,6])(C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]O[5]C)(COO){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[3,5](C[5,6]C[6,6a]N[5,6]H)(C[3]C[3,5]C[5,6]C)(C[3,5]C[3]O[5]C)(COO){2|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C){1|C<4>,1|O<2>,5|C<3>}	120.1860	0.000	1	120.1860	0.000	1	120.1860	0.000	1	120.1860	0.000	1	121.0425	1.467	2	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	C[3]-4:N[5]-3:N[5]-3:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H)	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H)	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2{1|H<1>,5|C<4>}	126.0580	0.000	1	126.0580	0.000	1	122.5533	10.111	3	122.5533	10.111	3	122.5533	10.111	3	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	C[3]-4:N[5]-3:N[5]-3:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H)	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H)	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2{2|H<1>,4|C<4>}	120.8010	1.341	2	120.8010	1.797	2	122.5533	10.111	3	122.5533	10.111	3	122.5533	10.111	3	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3]	C[5]	3:3:4:4:	4:4:1:1:	4:3:2:	C[5]-3:C[5]-3:C[3]-4:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N[5]-3:O[5]-2:	C[3](C[5]N[5]O[5])2(C[3]C[3]HH)2	C[3](C[3]C[3]C[5]2)(C[3]C[3]HH)(H)2	C[5](C[3]C[3]2C[5])(N[5]C[5,5]Ni)(O[5]C[5,5])	C[3](C[5]N[5]O[5])2(C[3]C[3]HH)2{1|Ni<4>,4|C<4>}	C[3](C[3]C[3]C[5]2)(C[3]C[3]HH)(H)2{2|N<3>,2|O<2>}	C[5](C[3]C[3]2C[5])(N[5]C[5,5]Ni)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	117.1986	1.201	8	117.1986	1.442	8	117.1986	1.442	8	117.1986	1.442	8	119.8490	6.562	28	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3]	C[5]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5]-3:S[5]-3:C[3]-4:	C[3](C[5]C[5]S[5])(C[3]C[3]HH)2(H)	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(H)2	C[5](C[5]C[5,6a]B)(S[5]C[5,6a]C)(C[3]C[3]2H)	C[3](C[5]C[5]S[5])(C[3]C[3]HH)2(H){1|B<4>,1|C<4>,2|C<3>}	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(H)2{1|C<3>,1|S<3>}	C[5](C[5]C[5,6a]B)(S[5]C[5,6a]C)(C[3]C[3]2H){2|C<3>,4|H<1>}	122.4200	1.605	2	122.4200	2.576	2	122.4200	2.576	2	122.4200	2.576	2	119.8490	6.562	28	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3]	C[5]	3:4:4:1:	4:4:1:1:	3:4:4:	C[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5]-3:C[5,5]-4:C[3]-4:	C[3](C[5]C[5,5]C[5])(C[3]C[3]HH)2(H)	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[3]C[3]2H)	C[3](C[5]C[5,5]C[5])(C[3]C[3]HH)2(H){2|C<4>,3|C<3>}	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[3]C[3]2H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,8|H<1>}	121.9380	0.704	2	121.9380	0.496	2	121.9380	0.496	2	121.9380	0.496	2	119.8490	6.562	28	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3]	C[5]	3:4:4:1:	4:4:1:1:	4:3:2:	C[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[5]-3:N[5]-2:	C[3](C[5]C[5]N[5])(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[3]C[5]H)(C[3]C[3]CH)(H)2	C[5](C[3]C[3]2H)(C[5]Se[5]C)(N[5]N[5])	C[3](C[5]C[5]N[5])(C[3]C[3]CH)(C[3]C[3]HH)(H){1|Se<2>,1|C<4>,1|N<2>}	C[3](C[3]C[3]C[5]H)(C[3]C[3]CH)(H)2{1|C<3>,1|N<2>}	C[5](C[3]C[3]2H)(C[5]Se[5]C)(N[5]N[5]){1|C<4>,3|H<1>}	121.9390	0.000	1	121.9390	0.000	1	121.9390	0.000	1	121.9390	0.000	1	119.8490	6.562	28	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3]	C[5]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5,5]-4:C[3]-4:C[5]-3:	C[3](C[5]C[5,5]C[5])(C[3]C[3]HH)2(H)	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[3]C[3]2H)(C[5]C[5]H)	C[3](C[5]C[5,5]C[5])(C[3]C[3]HH)2(H){1|C<3>,2|C<4>,2|H<1>}	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[3]C[3]2H)(C[5]C[5]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	122.0265	1.659	4	122.0265	2.754	4	122.0265	2.754	4	122.0265	2.754	4	119.8490	6.562	28	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3]	C[5]	3:4:4:1:	4:4:1:1:	5:3:4:	C[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	P[5]-5:C[5]-3:C[3]-4:	C[3](C[5]C[5]P[5])(C[3]C[3]HH)2(H)	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(H)2	C[5](P[5]C[6a]3O[5])(C[5]C[6a]C[5])(C[3]C[3]2H)	C[3](C[5]C[5]P[5])(C[3]C[3]HH)2(H){1|O<2>,5|C<3>}	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(H)2{1|C<3>,1|P<5>}	C[5](P[5]C[6a]3O[5])(C[5]C[6a]C[5])(C[3]C[3]2H){4|H<1>,9|C<3>}	123.0215	0.400	2	123.0215	0.160	2	123.0215	0.160	2	123.0215	0.160	2	119.8490	6.562	28	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3]	C[5]	3:4:4:1:	4:4:4:1:	4:3:2:	C[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[5]-3:N[5]-2:	C[3](C[5]C[5]N[5])(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CCHH)(H)	C[5](C[3]C[3]2H)(C[5]Se[5]C)(N[5]N[5])	C[3](C[5]C[5]N[5])(C[3]C[3]CH)(C[3]C[3]HH)(H){1|Se<2>,1|C<4>,1|N<2>}	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CCHH)(H){1|C<3>,1|N<2>}	C[5](C[3]C[3]2H)(C[5]Se[5]C)(N[5]N[5]){1|C<4>,3|H<1>}	121.4080	0.000	1	121.4080	0.000	1	121.4080	0.000	1	121.4080	0.000	1	119.8490	6.562	28	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3]	C[5]	3:4:4:4:	4:4:1:1:	4:3:2:	C[5]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N[5]-3:O[5]-2:	C[3](C[5]N[5]O[5])(C[3]C[3]HH)(C[3]C[3]HP)(CH3)	C[3](C[3]C[3]C[5]C)(C[3]C[3]HP)(H)2	C[5](C[3]C[3]2C)(N[5]C[5]Pd)(O[5]C[5])	C[3](C[5]N[5]O[5])(C[3]C[3]HH)(C[3]C[3]HP)(CH3){1|Pd<4>,2|C<4>}	C[3](C[3]C[3]C[5]C)(C[3]C[3]HP)(H)2{1|N<3>,1|O<2>}	C[5](C[3]C[3]2C)(N[5]C[5]Pd)(O[5]C[5]){1|C<3>,1|P<4>,6|H<1>}	116.5580	0.000	1	116.5580	0.000	1	116.5580	0.000	1	116.5580	0.000	1	119.8490	6.562	28	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3]	C[5]	3:4:4:4:	4:4:4:1:	4:3:2:	C[5]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:P-4:H-1:	C[3]-4:N[5]-3:O[5]-2:	C[3](C[5]N[5]O[5])(C[3]C[3]HH)(C[3]C[3]HP)(CH3)	C[3](C[3]C[3]C[5]C)(C[3]C[3]HH)(PPdCC)(H)	C[5](C[3]C[3]2C)(N[5]C[5]Pd)(O[5]C[5])	C[3](C[5]N[5]O[5])(C[3]C[3]HH)(C[3]C[3]HP)(CH3){1|Pd<4>,2|C<4>}	C[3](C[3]C[3]C[5]C)(C[3]C[3]HH)(PPdCC)(H){1|N<3>,1|O<2>}	C[5](C[3]C[3]2C)(N[5]C[5]Pd)(O[5]C[5]){1|C<3>,1|P<4>,6|H<1>}	118.4870	0.000	1	118.4870	0.000	1	118.4870	0.000	1	118.4870	0.000	1	119.8490	6.562	28	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3]	C[5]	4:3:2:1:	4:4:2:1:	4:3:3:	C[3]-4:C[5]-3:O[3]-2:H-1:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[5]-3:C[5]-3:	C[3](C[3]C[3]O[3]H)(C[5]C[5]2)(O[3]C[3])(H)	C[3](C[3]C[3]O[3]H)(C[3]C[5]O[3]H)(O[3]C[3])(H)	C[5](C[3]C[3]O[3]H)(C[5]C[5]H)(C[5]O[5]O)	C[3](C[3]C[3]O[3]H)(C[5]C[5]2)(O[3]C[3])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[3](C[3]C[3]O[3]H)(C[3]C[5]O[3]H)(O[3]C[3])(H){2|C<3>,2|C<4>}	C[5](C[3]C[3]O[3]H)(C[5]C[5]H)(C[5]O[5]O){2|C<4>,2|H<1>}	117.0960	0.000	1	117.0960	0.000	1	117.0960	0.000	1	117.0960	0.000	1	119.8490	6.562	28	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3]	C[5]	4:3:4:1:	4:4:1:1:	4:4:3:	P[3]-4:C[5]-3:C[3]-4:H-1:	P[3]-4:C[3]-4:H-1:H-1:	P[5]-4:C[3]-4:C[5]-3:	C[3](P[3]C[6a]C[3]W)(C[5]C[5]P[5])(C[3]P[3]HH)(H)	C[3](P[3]C[6a]C[3]W)(C[3]C[5]P[3]H)(H)2	C[5](P[5]C[6a]C[5]W)(C[3]C[3]P[3]H)(C[5]C[5]C)	C[3](P[3]C[6a]C[3]W)(C[5]C[5]P[5])(C[3]P[3]HH)(H){1|C<4>,1|W<6>,5|C<3>}	C[3](P[3]C[6a]C[3]W)(C[3]C[5]P[3]H)(H)2{1|P<4>,3|C<3>}	C[5](P[5]C[6a]C[5]W)(C[3]C[3]P[3]H)(C[5]C[5]C){1|C<4>,1|W<6>,3|C<3>,3|H<1>}	121.6740	0.000	1	121.6740	0.000	1	121.6740	0.000	1	121.6740	0.000	1	119.8490	6.562	28	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	3:4:4:	C[3]-4:C[3]-4:C[5]-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5]-3:C[3]-4:C[5]-4:	C[3](C[3]C[3]HH)2(C[5]C[5]2)(H)	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(H)2	C[5](C[5]C[6a]B[5])(C[3]C[3]2H)(C[5]C[5]CH)	C[3](C[3]C[3]HH)2(C[5]C[5]2)(H){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[6a]B[5])(C[3]C[3]2H)(C[5]C[5]CH){1|C<2>,4|C<3>,5|H<1>}	120.2905	2.287	2	120.2905	5.233	2	120.2905	5.233	2	120.2905	5.233	2	119.8490	6.562	28	118.5063	21.069	465
486	486	818	0:SP3_SP2_SP3	C[3]	C[3]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3]-4:C[3]-4:C[5]-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[5]-3:C[5]-3:	C[3](C[3]C[3]HH)2(C[5]C[5]2)(H)	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(H)2	C[5](C[3]C[3]2H)(C[5]C[5]H)(C[5]N[5]N)	C[3](C[3]C[3]HH)2(C[5]C[5]2)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(H)2{2|C<3>}	C[5](C[3]C[3]2H)(C[5]C[5]H)(C[5]N[5]N){1|C<4>,1|O<1>,4|H<1>}	118.7875	0.267	2	118.7875	0.071	2	118.7875	0.071	2	118.7875	0.071	2	119.8490	6.562	28	118.5063	21.069	465
486	486	818	5:SP3_SP2_SP3	C[3,5,5]	C[3,4,5]	C[5,5]	4:4:3:1:	4:4:4:3:	4:4:3:	C[3,4,5]-4:C[3,4,5]-4:C[5,5]-3:H-1:	C[3,4,5]-4:C[3,4,5]-4:C[3,5,5]-4:C-3:	C[3,5,5]-4:C[3,5,5]-4:C-3:	C[3,5,5](C[3,4,5]C[3,4,5]2C)2(C[5,5]C[3,5,5]C)(H)	C[3,4,5](C[3,4,5]C[3,4,5]C[3,5,5]C)2(C[3,5,5]C[3,4,5]C[5,5]H)(CNO)	C[5,5](C[3,5,5]C[3,4,5]2H)2(CCC)	C[3,5,5](C[3,4,5]C[3,4,5]2C)2(C[5,5]C[3,5,5]C)(H){1|H<1>,2|C<3>}	C[3,4,5](C[3,4,5]C[3,4,5]C[3,5,5]C)2(C[3,5,5]C[3,4,5]C[5,5]H)(CNO){1|H<1>,2|C<3>}	C[5,5](C[3,5,5]C[3,4,5]2H)2(CCC){4|C<3>}	109.9217	0.356	12	109.9217	0.127	12	109.9217	0.127	12	109.9217	0.127	12	109.9217	0.127	12	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,5]	C[3,5,5]	C[5,5]	4:3:4:4:	4:4:3:4:	4:3:4:	C[3,5,5]-4:C[5,5]-3:C[3]-4:C[5]-4:	C[3,5,5]-4:C[3]-4:C[5]-3:C[5]-4:	C[3,5,5]-4:C[5,5]-3:C[5]-4:	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH)	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]C)(C[5]C[5]HH)	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH){1|C<3>,2|C<4>,6|H<1>}	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]C)(C[5]C[5]HH){2|C<4>,4|H<1>}	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|Br<1>,1|C<3>,2|C<4>,6|H<1>}	103.8500	0.000	1	103.8500	0.000	1	103.7750	0.011	2	103.7750	0.011	2	103.7750	0.011	2	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,5]	C[3,5,5]	C[5,5]	4:3:4:4:	4:4:3:4:	4:3:4:	C[3,5,5]-4:C[5,5]-3:C[3]-4:C[5]-4:	C[3,5,5]-4:C[3]-4:C[5]-3:C[5]-4:	C[3,5,5]-4:C[5,5]-3:C[5]-4:	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH)	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]O)(C[5]C[5]HH)	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]O)(C[5]C[5]HH){2|C<4>,4|H<1>}	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|Br<1>,1|O<1>,2|C<4>,6|H<1>}	103.7000	0.000	1	103.7000	0.000	1	103.7750	0.011	2	103.7750	0.011	2	103.7750	0.011	2	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,5]	C[3,5,5]	C[5]	4:4:3:4:	4:3:4:4:	4:3:1:	C[3,5,5]-4:C[3]-4:C[5]-3:C[5]-4:	C[3,5,5]-4:C[5,5]-3:C[3]-4:C[5]-4:	C[3,5,5]-4:C[5,5]-3:O-1:	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]O)(C[5]C[5]HH)	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH)	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(O)	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]O)(C[5]C[5]HH){2|C<4>,4|H<1>}	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(O){2|Br<1>,4|C<4>,4|H<1>}	106.5100	0.000	1	106.5100	0.000	1	106.5100	0.000	1	106.5100	0.000	1	106.7835	0.150	2	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,5]	C[3,5,5]	C[5]	4:4:3:4:	4:3:4:4:	4:3:3:	C[3,5,5]-4:C[3]-4:C[5]-3:C[5]-4:	C[3,5,5]-4:C[5,5]-3:C[3]-4:C[5]-4:	C[3,5,5]-4:C[5,5]-3:C-3:	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]C)(C[5]C[5]HH)	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH)	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(CHH)	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]C)(C[5]C[5]HH){2|C<4>,4|H<1>}	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH){1|C<3>,2|C<4>,6|H<1>}	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(CHH){2|Br<1>,4|C<4>,4|H<1>}	107.0570	0.000	1	107.0570	0.000	1	107.0570	0.000	1	107.0570	0.000	1	106.7835	0.150	2	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6]	4:4:3:2:	4:4:4:2:	4:4:3:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O[3]-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(O[3]C[3,5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6])	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(O[3]C[3,5,6,6]){2|C<4>,3|O<2>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6]){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2){2|C<4>,3|O<2>,6|C<3>}	106.6160	0.000	1	106.6160	0.000	1	106.6160	0.000	1	106.6160	0.000	1	106.6160	0.000	1	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6]	C[5]	4:4:4:3:	4:4:3:4:	4:3:4:	C[3,5,6]-4:C[3,6]-4:C[3x6]-4:C[5]-3:	C[3,5,6,6]-4:C[3,6]-4:C[5]-3:C[6]-4:	C[3,5,6,6]-4:C[5]-3:C[6]-4:	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6])	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH)	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H)	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6]){1|C<3>,5|C<4>,9|H<1>}	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH){2|C<3>,4|H<1>,6|C<4>}	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,7|H<1>,8|C<4>}	105.7130	0.000	1	105.7130	0.000	1	105.7130	0.000	1	105.7130	0.000	1	105.7130	0.000	1	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,6]	C[3,4,5]	C[5,6]	4:4:3:4:	4:4:4:4:	4:3:4:	C[3,4,5]-4:P[3,4,6]-4:C[5,6]-3:C-4:	C[3,5,6]-4:P[3,4,6]-4:C[4,5,6]-4:C-4:	C[3,5,6]-4:C[5,6]-3:C-4:	C[3,5,6](C[3,4,5]C[4,5,6]P[3,4,6]C)(P[3,4,6]C[3,4,5]P[4,6]W)(C[5,6]C[5,6]C)(CH3)	C[3,4,5](C[3,5,6]P[3,4,6]C[5,6]C)(P[3,4,6]C[3,5,6]P[4,6]W)(C[4,5,6]C[5,6]P[4,6]C)(CH3)	C[5,6](C[3,5,6]C[3,4,5]P[3,4,6]C)(C[5,6]C[4,5,6]C)(CH3)	C[3,5,6](C[3,4,5]C[4,5,6]P[3,4,6]C)(P[3,4,6]C[3,4,5]P[4,6]W)(C[5,6]C[5,6]C)(CH3){1|W<6>,3|C<4>}	C[3,4,5](C[3,5,6]P[3,4,6]C[5,6]C)(P[3,4,6]C[3,5,6]P[4,6]W)(C[4,5,6]C[5,6]P[4,6]C)(CH3){1|W<6>,3|C<4>}	C[5,6](C[3,5,6]C[3,4,5]P[3,4,6]C)(C[5,6]C[4,5,6]C)(CH3){1|P<4>,1|W<6>,2|C<4>}	107.2260	0.000	1	107.2260	0.000	1	107.2260	0.000	1	106.6735	0.611	2	106.6735	0.611	2	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,6]	C[3,4,5]	C[5,6]	4:4:3:4:	4:4:4:4:	4:3:4:	C[3,4,5]-4:Si[3,4,6]-4:C[5,6]-3:C-4:	Si[3,4,6]-4:C[3,5,6]-4:C[4,5,6]-4:C-4:	C[3,5,6]-4:C[5,6]-3:C-4:	C[3,5,6](C[3,4,5]Si[3,4,6]C[4,5,6]C)(Si[3,4,6]C[3,4,5]Si[4,6]N)(C[5,6]C[5,6]C)(CH3)	C[3,4,5](Si[3,4,6]C[3,5,6]Si[4,6]N)(C[3,5,6]Si[3,4,6]C[5,6]C)(C[4,5,6]Si[4,6]C[5,6]C)(CH3)	C[5,6](C[3,5,6]Si[3,4,6]C[3,4,5]C)(C[5,6]C[4,5,6]C)(CH3)	C[3,5,6](C[3,4,5]Si[3,4,6]C[4,5,6]C)(Si[3,4,6]C[3,4,5]Si[4,6]N)(C[5,6]C[5,6]C)(CH3){1|Cl<1>,1|N<3>,2|C<4>}	C[3,4,5](Si[3,4,6]C[3,5,6]Si[4,6]N)(C[3,5,6]Si[3,4,6]C[5,6]C)(C[4,5,6]Si[4,6]C[5,6]C)(CH3){1|Cl<1>,1|N<3>,2|C<4>}	C[5,6](C[3,5,6]Si[3,4,6]C[3,4,5]C)(C[5,6]C[4,5,6]C)(CH3){1|Si<4>,1|N<3>,2|C<4>}	106.1210	0.000	1	106.1210	0.000	1	106.1210	0.000	1	106.6735	0.611	2	106.6735	0.611	2	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,6]	C[3,5,6,6]	C[5]	4:4:3:4:	4:4:4:3:	4:3:3:	C[3,5,6,6]-4:C[3,6]-4:C[5]-3:C[6]-4:	C[3,5,6]-4:C[3,6]-4:C[3x6]-4:C[5]-3:	C[3,5,6]-4:C[5]-3:C[6a]-3:	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH)	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6])	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]C[6])(C[6a]C[6a]2)	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH){2|C<3>,4|H<1>,6|C<4>}	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6]){1|C<3>,5|C<4>,9|H<1>}	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,6|C<4>,6|H<1>}	105.3500	0.000	1	105.3500	0.000	1	105.3500	0.000	1	105.3500	0.000	1	105.3500	0.000	1	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[5,6]	4:3:3:2:	4:4:3:2:	4:4:3:	C[3,5,6]-4:C[6,6a]-3:C[5,6]-3:O[3]-2:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5]-4:C[6]-3:	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[5,6](C[3,5,6]C[3,5,6]C[6,6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]Br)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[3,5,6]C[3,5,6]C[6,6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]Br){1|C<4>,1|O<1>,4|C<3>}	105.4980	0.000	1	105.4980	0.000	1	105.4980	0.000	1	105.4980	0.000	1	106.3132	0.507	4	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[5,6]	4:4:3:1:	4:4:4:3:	4:4:1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[3,5,6]-4:C[5,6,6]-4:O-1:	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6]C[5,6,6]O)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6,6]C[5,6,6]C[6]2)(C[6a]C[6a]2)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6,6]C[6,6]C)(O)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6]C[5,6,6]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6,6]C[5,6,6]C[6]2)(C[6a]C[6a]2){2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6,6]C[6,6]C)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	105.9870	0.000	1	105.9870	0.000	1	105.9870	0.000	1	105.9870	0.000	1	106.3132	0.507	4	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[5,6]	4:4:3:1:	4:4:4:3:	4:4:3:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:C-3:	C[3,5,6]-4:C[5,6,6]-4:C-3:	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[5a]H)(CC[6a]O)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C)(H){2|C<3>,3|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[5a]H)(CC[6a]O){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2){3|C<3>,3|H<1>}	106.6630	0.000	1	106.6630	0.000	1	106.8840	0.098	2	106.8840	0.098	2	106.3132	0.507	4	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[5,6]	4:4:3:1:	4:4:4:3:	4:4:3:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:C-3:	C[3,5,6]-4:C[5,6,6]-4:C-3:	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(CC[6a]O)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C)(H){2|C<3>,3|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2){3|C<3>,3|H<1>}	107.1050	0.000	1	107.1050	0.000	1	106.8840	0.098	2	106.8840	0.098	2	106.3132	0.507	4	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[5]	4:3:3:2:	4:4:3:2:	4:4:1:	C[3,5,6]-4:C[5]-3:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5,5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5,5,6]-4:O-1:	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,5,6]2C)(O)	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,5,6]2C)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	106.9050	0.000	1	106.9050	0.000	1	106.9050	0.000	1	106.9050	0.000	1	106.0020	0.397	4	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[5]	4:3:4:3:	4:4:4:4:	4:2:1:	C[3,5,6]-4:C[5,6]-3:C[3]-4:C[5]-3:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:O[5]-2:O-1:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5])(C[3]C[3,5,6]HH)(C[5]O[5]O)	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	C[5](C[3,5,6]C[3,5,6]C[5,6]C[3])(O[5]C[5])(O)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5])(C[3]C[3,5,6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[3,5,6]C[3,5,6]C[5,6]C[3])(O[5]C[5])(O){2|C<3>,2|C<4>,3|H<1>}	105.5720	0.049	2	105.5720	0.002	2	105.5720	0.002	2	105.5720	0.002	2	106.0020	0.397	4	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[5]	4:4:4:3:	4:4:4:4:	4:2:1:	C[3,5,6]-4:C[5,6]-4:C[3]-4:C[5]-3:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:O[5]-2:O-1:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5]O)(C[3]C[3,5,6]HH)(C[5]O[5]O)	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	C[5](C[3,5,6]C[3,5,6]C[5,6]C[3])(O[5]C[5])(O)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5]O)(C[3]C[3,5,6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5,6]C[3,5,6]C[5,6]C[3])(O[5]C[5])(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	105.9590	0.000	1	105.9590	0.000	1	105.9590	0.000	1	105.9590	0.000	1	106.0020	0.397	4	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[5,6]	3:4:4:4:	4:4:3:1:	4:4:3:	C[5,6]-3:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[3]-4:C[5]-3:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-3:	C[3,5,6](C[5,6]C[6,6]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6]C[6]HH)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]CC)(C[5]C[5]O)(H)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H)	C[3,5,6](C[5,6]C[6,6]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6]C[6]HH){1|O<1>,3|C<4>,3|H<1>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]CC)(C[5]C[5]O)(H){2|C<4>,3|H<1>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	104.9950	0.000	1	104.9950	0.000	1	104.9950	0.000	1	104.9950	0.000	1	106.0795	2.352	2	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[5,6]	4:3:2:3:	4:2:4:4:	4:4:3:	C[3,5]-4:C[5,6]-3:O[3]-2:C[6]-3:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[3,5,6]-4:C[5]-4:C[6]-3:	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCl2H)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HH)(C[6]C[6]H)	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O){1|C<3>,6|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCl2H){1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	107.1640	0.000	1	107.1640	0.000	1	107.1640	0.000	1	107.1640	0.000	1	106.0795	2.352	2	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[5]	4:4:3:3:	4:4:4:4:	4:4:3:	C[3,5]-4:C[3,6]-4:C[5]-3:C[6]-3:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-4:	C[3,5,6]-4:P[5]-4:C-3:	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]P[5]C)(C[6]O[6]O)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]P[5]HH)(CH3)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(P[5]C[5]CC)(COO)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]P[5]C)(C[6]O[6]O){1|B<4>,2|C<4>,4|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]P[5]HH)(CH3){1|B<4>,1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(P[5]C[5]CC)(COO){2|C<4>,2|O<2>,3|H<1>}	112.6660	0.000	1	112.6660	0.000	1	112.6660	0.000	1	112.6660	0.000	1	112.6660	0.000	1	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5,6]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[3,5,5,6]-4:C[3,5,6]-4:C[5]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[5,6a]-3:C[5,6]-4:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5,5,6]C[3,5,6]C[5,6a]C[5,6])(C[3,5,6]C[3,5,5,6]C[6]N[5])(C[5]N[5]O)(H)	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)	C[5](C[3,5]C[3,5,5,6]C[3,5,6]H)(N[5]C[5,6]C)(O)	C[3,5](C[3,5,5,6]C[3,5,6]C[5,6a]C[5,6])(C[3,5,6]C[3,5,5,6]C[6]N[5])(C[5]N[5]O)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	C[5](C[3,5]C[3,5,5,6]C[3,5,6]H)(N[5]C[5,6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	105.7470	0.000	1	105.7470	0.000	1	105.7470	0.000	1	105.7470	0.000	1	105.7470	0.000	1	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5,6]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3,5]-4:C-3:	C[3,5]-4:C[5,6]-3:C[6]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6]C[5,6]C[6])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5,6]H)(C[3,5]C[3,5]C[5,6]H)(COS)	C[5,6](C[3,5]C[3,5,5]C[3,5]H)(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6]C[5,6]C[6])(H){1|C<2>,2|H<1>,3|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5,6]H)(C[3,5]C[3,5]C[5,6]H)(COS){1|C<2>,3|C<3>}	C[5,6](C[3,5]C[3,5,5]C[3,5]H)(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	106.4050	0.000	1	106.4050	0.000	1	106.4050	0.000	1	106.4050	0.000	1	106.4050	0.000	1	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH)	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5]C)(O)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	103.9750	0.000	1	103.9750	0.000	1	104.2023	0.039	3	104.2023	0.039	3	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH)	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5]C)(O)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5]C)(O){1|C<3>,1|N<3>,3|H<1>}	104.3160	0.000	2	104.3160	0.000	2	104.2023	0.039	3	104.2023	0.039	3	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5]-4:C[3,5,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3,5]-4:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]H)(C[5]C[5]H)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5]H)(C[3,5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]C)(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5]H)(C[3,5]C[3,5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]C)(H){2|H<1>,3|C<3>}	106.3310	0.000	1	106.3310	0.000	1	106.3310	0.000	1	106.3310	0.000	1	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[3x5]-4:H-1:	C[3,5]-4:C[5,5]-4:O-1:	C[3,5](C[3,5,5]C[3,5]C[3x5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5,5]O)(H)	C[3,5,5](C[3,5]C[3,5]C[5]H)2(C[3x5]C[5,5]2C)(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]O[5]H)(O)	C[3,5](C[3,5,5]C[3,5]C[3x5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5,5]O)(H){1|O<2>,2|H<1>,3|C<4>}	C[3,5,5](C[3,5]C[3,5]C[5]H)2(C[3x5]C[5,5]2C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]O[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	108.8030	0.018	2	108.8030	0.000	2	108.8030	0.000	2	108.5517	0.139	4	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]O)(H)	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(O)	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]O)(H){1|C<4>,1|O<2>,4|H<1>}	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H){1|O<1>,2|O<2>,4|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(O){2|H<1>,3|C<4>}	108.3005	0.404	2	108.3005	0.163	2	108.3005	0.163	2	108.5517	0.139	4	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:1:	4:4:4:2:	4:3:1:	C[3,5,5,6]-4:C[3,5,5]-4:C[5]-3:H-1:	C[3,5,5,6]-4:C[3,5]-4:C[5,5]-4:O-2:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5,5,6]C[3,5,5]C[5,5,6]2)(C[3,5,5]C[3,5,5,6]C[5,5]O)(C[5]C[5]H)(H)	C[3,5,5](C[3,5,5,6]C[5,5,6]2C[3,5])(C[3,5]C[3,5,5,6]C[5]H)(C[5,5]C[5]2H)(OC)	C[5](C[3,5]C[3,5,5,6]C[3,5,5]H)(C[5]C[5,5]H)(H)	C[3,5](C[3,5,5,6]C[3,5,5]C[5,5,6]2)(C[3,5,5]C[3,5,5,6]C[5,5]O)(C[5]C[5]H)(H){4|C<4>,4|H<1>}	C[3,5,5](C[3,5,5,6]C[5,5,6]2C[3,5])(C[3,5]C[3,5,5,6]C[5]H)(C[5,5]C[5]2H)(OC){3|C<4>,6|H<1>}	C[5](C[3,5]C[3,5,5,6]C[3,5,5]H)(C[5]C[5,5]H)(H){1|H<1>,1|O<2>,3|C<4>}	104.9945	0.610	2	104.9945	0.372	2	104.9945	0.372	2	104.9945	0.372	2	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:1:	4:4:4:3:	4:3:1:	C[3,5]-4:C[3,5,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3,5]-4:C-3:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5]C[5]H)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]C)(C[3,5]C[3,5]C[5]H)(CC[6a]O)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]H)(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]C)(C[3,5]C[3,5]C[5]H)(CC[6a]O){2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]H)(H){1|H<1>,4|C<3>}	106.9350	0.000	1	106.9350	0.000	1	106.9350	0.000	1	109.8870	17.429	2	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:1:	4:4:4:3:	4:3:1:	C[3,5]-4:C[3,5,5]-4:C[5]-3:H-1:	C[3,5]-4:P[5,5]-4:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C[6a])(C[3,5,5]C[3,5]P[5,5]C[6a])(C[5]C[5]H)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]P[5,5]C[6a])(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C[6a])(C[3,5,5]C[3,5]P[5,5]C[6a])(C[5]C[5]H)(H){1|Se<1>,7|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]P[5,5]C[6a])(H){1|Se<1>,6|C<3>}	112.8390	0.000	1	112.8390	0.000	1	112.8390	0.000	1	109.8870	17.429	2	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-4:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]O)(H)	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(CCHH)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]CH)(O)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(CCHH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]CH)(O){1|H<1>,4|C<4>}	108.5660	0.088	2	108.5660	0.008	2	108.5660	0.008	2	108.2090	0.386	3	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,5,5]-4:C[3]-4:C[5]-3:H-1:	C[5,5,6]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[5,6]-4:C[3,5]-4:O-1:	C[3,5](C[3,5,5]C[5,5,6]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5,6]O)(H)	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[3,5]C[3,5,5]C[3]H)(O)	C[3,5](C[3,5,5]C[5,5,6]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5,6]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[3,5]C[3,5,5]C[3]H)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	108.2090	0.386	3	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:3:	4:3:4:4:	4:2:1:	C[3,5,5]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-4:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH)	C[5](C[3,5]C[3,5,5]C[3,5]C[6a])(O[5]C[5])(O)	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O){4|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,5|C<3>}	C[5](C[3,5]C[3,5,5]C[3,5]C[6a])(O[5]C[5])(O){1|N<3>,3|C<3>,3|H<1>}	103.7145	0.117	2	103.7145	0.014	2	103.7145	0.014	2	103.7145	0.014	2	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:3:	4:4:4:1:	4:3:2:	C[3,5,5]-4:C[3,5]-4:C[5]-3:C-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:H-1:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]N[5]N)(COO)	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]N[5]H)(H)	C[5](C[3,5]C[3,5,5]C[3,5]C)(N[5]C[5,5]C)(NS)	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]N[5]N)(COO){2|C<4>,3|H<1>}	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]N[5]H)(H){1|C<4>,1|N<2>,4|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(N[5]C[5,5]C)(NS){2|C<4>,3|H<1>}	106.0990	0.000	1	106.0990	0.000	1	106.0990	0.000	1	106.0990	0.000	1	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:3:	4:4:4:3:	4:2:1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:C-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6]-3:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6])(C[3,5]C[3,5,5]C[5]H)(C[5]O[5]O)(CCN)	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]O[5]H)(C[6]C[6]2)	C[5](C[3,5]C[3,5,5]C[3,5]C)(O[5]C[5,5])(O)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6])(C[3,5]C[3,5,5]C[5]H)(C[5]O[5]O)(CCN){1|C<3>,2|C<4>,3|H<1>}	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]O[5]H)(C[6]C[6]2){1|O<1>,2|C<4>,7|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(O[5]C[5,5])(O){1|C<3>,2|C<4>,2|H<1>}	106.6660	0.334	4	106.6660	0.112	4	106.6660	0.112	4	106.6660	0.112	4	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:3:	4:4:4:3:	4:3:1:	C[3,5]-4:C[3,5,5]-4:C[5]-3:C-3:	C[3,5]-4:C[5,5]-4:C[3,5]-4:C-3:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5]C[5]H)(COO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]O)(C[3,5]C[3,5]C[5]C)(COO)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]H)(H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5]C[5]H)(COO){1|H<1>,1|O<2>,2|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]O)(C[3,5]C[3,5]C[5]C)(COO){2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]H)(H){1|H<1>,1|O<2>,3|C<3>}	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:4:	4:4:4:4:	4:3:4:	C[3,5,5]-4:C[3,5]-4:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-4:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]C)(CH3)	C[3,5,5](C[3,5]C[3,5]C[5]C)2(C[5,5]C[5]P[5]C)(CH3)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[3,5,5](C[3,5]C[3,5]C[5]C)2(C[5,5]C[5]P[5]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|W<6>,2|C<4>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|P<4>,3|C<4>}	106.6835	0.500	2	106.6835	0.250	2	106.6835	0.250	2	106.6537	0.128	3	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[5]	4:4:3:4:	4:4:4:4:	4:3:4:	C[3,5,5]-4:P[3,5]-4:C[5]-3:C-4:	C[3,5]-4:P[3,5]-4:C[5,5]-4:C-4:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5,5]C[5,5]P[3,5]C)(P[3,5]C[3,5,5]N[5]W)(C[5]C[5]C)(CH3)	C[3,5,5](C[3,5]P[3,5]C[5]C)(P[3,5]C[3,5]N[5]W)(C[5,5]C[5]2C)(CH3)	C[5](C[3,5]C[3,5,5]P[3,5]C)(C[5]C[5,5]C)(CH3)	C[3,5](C[3,5,5]C[5,5]P[3,5]C)(P[3,5]C[3,5,5]N[5]W)(C[5]C[5]C)(CH3){4|C<4>}	C[3,5,5](C[3,5]P[3,5]C[5]C)(P[3,5]C[3,5]N[5]W)(C[5,5]C[5]2C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[5](C[3,5]C[3,5,5]P[3,5]C)(C[5]C[5,5]C)(CH3){1|N<3>,1|W<6>,3|C<4>}	106.5940	0.000	1	106.5940	0.000	1	106.5940	0.000	1	106.6537	0.128	3	106.7230	4.142	26	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,6,6]	C[5]	4:4:3:3:	4:4:4:4:	4:3:1:	C[3,5,6,6]-4:C[3,6,6]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3x6]-4:C[3,6,6]-4:C[5]-4:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5,6,6]C[3,6,6]C[3x6]C[5])(C[3,6,6]C[3,5,6,6]C[3x6]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH)	C[5](C[3,5]C[3,5,6,6]C[3,6,6]C[6a])(N[5]C[5]S)(O)	C[3,5](C[3,5,6,6]C[3,6,6]C[3x6]C[5])(C[3,6,6]C[3,5,6,6]C[3x6]H)(C[6a]C[6a]2)(C[5]N[5]O){1|S<4>,2|N<3>,4|C<3>,6|H<1>}	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH){1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[3,5]C[3,5,6,6]C[3,6,6]C[6a])(N[5]C[5]S)(O){2|C<3>,2|C<4>,3|H<1>}	103.4790	0.000	1	103.4790	0.000	1	103.4790	0.000	1	103.4790	0.000	1	103.4790	0.000	1	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5]	4:2:3:1:	4:4:4:2:	4:4:1:	C[3,5,6]-4:O[3]-2:C[5]-3:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]O)(H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(O)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]O)(H){1|C<3>,1|H<1>,5|C<4>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(O){2|C<3>,3|C<4>}	107.0360	0.000	1	107.0360	0.000	1	107.0360	0.000	1	107.0360	0.000	1	106.0953	0.832	19	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5]	4:3:3:1:	4:3:4:1:	4:2:1:	C[3,5,6]-4:N[3,6]-3:C[5]-3:H-1:	C[3,5]-4:N[3,6]-3:C[5,6]-4:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5,6]C[5,6]N[3,6]H)(N[3,6]C[3,5,6]S[6])(C[5]O[5]O)(H)	C[3,5,6](C[3,5]N[3,6]C[5]H)(N[3,6]C[3,5]S[6])(C[5,6]C[6]O[5]H)(H)	C[5](C[3,5]C[3,5,6]N[3,6]H)(O[5]C[5,6])(O)	C[3,5](C[3,5,6]C[5,6]N[3,6]H)(N[3,6]C[3,5,6]S[6])(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[3,5,6](C[3,5]N[3,6]C[5]H)(N[3,6]C[3,5]S[6])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|H<1>,3|O<1>}	C[5](C[3,5]C[3,5,6]N[3,6]H)(O[5]C[5,6])(O){1|C<4>,1|S<4>,2|H<1>}	105.9070	0.000	1	105.9070	0.000	1	105.9070	0.000	1	105.9070	0.000	1	106.0953	0.832	19	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5]	4:4:3:1:	3:4:4:4:	4:3:1:	C[3,5,6]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-3:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5]-4:C[5]-3:O-1:	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]CC)(C[5]C[5]O)(H)	C[3,5,6](C[5,6]C[6,6]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6]C[6]HH)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]H)(O)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]CC)(C[5]C[5]O)(H){2|C<4>,3|H<1>}	C[3,5,6](C[5,6]C[6,6]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6]C[6]HH){1|O<1>,3|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]H)(O){1|C<3>,3|C<4>}	105.9600	0.000	1	105.9600	0.000	1	105.9600	0.000	1	105.9600	0.000	1	106.0953	0.832	19	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]O[6]H)(C[5]O[5]O)(H)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]O[6]H)(C[5,6]C[6,6]O[5]H)(H)	C[5](C[3,5]C[3,5,6]C[3,6]H)(O[5]C[5,6])(O)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]O[6]H)(C[5]O[5]O)(H){1|H<1>,2|C<4>}	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]O[6]H)(C[5,6]C[6,6]O[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[3,5]C[3,5,6]C[3,6]H)(O[5]C[5,6])(O){1|C<4>,1|O<2>,3|H<1>}	105.7740	0.000	1	105.7740	0.000	1	105.7740	0.000	1	105.7740	0.000	1	106.0953	0.832	19	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[3,5]-4:C[3,6]-4:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(H)	C[3,5,6](C[5,5,6]C[5,6]C[5]2)(C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(H)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,5,6]O)(H)	C[3,5](C[3,5,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(H){1|O<2>,2|H<1>,3|C<4>}	C[3,5,6](C[5,5,6]C[5,6]C[5]2)(C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,5,6]O)(H){2|H<1>,3|C<4>}	106.0345	0.170	2	106.0345	0.029	2	106.0345	0.029	2	106.0345	0.029	2	106.0953	0.832	19	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5]	4:4:3:1:	4:4:4:2:	4:3:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:O-2:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5,6]C[3,6]C[5,6]O)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]O)(H)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]O)(OC)	C[5](C[3,5]C[3,5,6]C[3,6]H)(N[5]C[5,6]C)(O)	C[3,5](C[3,5,6]C[3,6]C[5,6]O)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<2>,4|C<4>}	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]O)(OC){1|O<1>,3|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]H)(N[5]C[5,6]C)(O){1|H<1>,2|C<4>,2|O<2>}	106.8010	0.000	1	106.8010	0.000	1	106.8010	0.000	1	106.8010	0.000	1	106.0953	0.832	19	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5]	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,6]-4:C[3,5,6]-4:C[5]-3:H-1:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-4:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]O)(H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]CH)(O)	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	106.9960	0.000	1	106.9960	0.000	1	106.9960	0.000	1	106.9960	0.000	1	106.0953	0.832	19	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5]	4:4:3:3:	4:4:4:1:	4:2:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:C-3:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O)(COO)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]O[5]C)(H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(O[5]C[5,6])(O)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O)(COO){1|C<4>,1|O<1>,2|C<3>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]O[5]C)(H){1|C<3>,1|H<1>,2|O<1>}	C[5](C[3,5]C[3,5,6]C[3,6]C)(O[5]C[5,6])(O){1|C<4>,2|C<3>,2|H<1>}	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	106.0953	0.832	19	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:2:	C[3,5,6]-4:C[3,6]-4:C[5]-3:C-3:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]N)(COO)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]C)(NS)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]N)(COO){3|C<4>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|N<2>,2|C<4>,4|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]C)(NS){2|C<4>,3|H<1>}	105.4560	0.263	2	105.4560	0.069	2	105.4560	0.069	2	105.4560	0.069	2	106.0953	0.832	19	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5]	4:4:3:3:	4:4:4:3:	4:4:1:	C[3,5,6]-4:C[3]-4:C[5]-3:C[6]-3:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]O)(C[6]C[6]2)	C[3,5,6](C[3,5]C[3]C[5]C[6])(C[5,6]C[5]C[6]H)(C[3]C[3,5]HH)(C[6]C[6]O)	C[5](C[3,5]C[3,5,6]C[3]C[6])(C[5]C[5,6]HH)(O)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]O)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[3,5,6](C[3,5]C[3]C[5]C[6])(C[5,6]C[5]C[6]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|O<1>,3|C<3>,5|H<1>}	C[5](C[3,5]C[3,5,6]C[3]C[6])(C[5]C[5,6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	105.0570	0.000	1	105.0570	0.000	1	105.0570	0.000	1	105.0570	0.000	1	106.0953	0.832	19	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:S-4:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[5](C[3,5]C[3,5,6]C[3,6]S)(C[5]C[5,6]HH)(O)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,5|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]S)(C[5]C[5,6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	107.5665	0.757	2	107.5665	0.574	2	107.5665	0.574	2	106.5555	1.576	4	106.0953	0.832	19	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:Si-4:	C[3,5,6]-4:C[3,5]-4:C[3,6]-4:H-1:	C[3,5]-4:C[3,5]-4:O-1:	C[3,5](C[3,5,6]C[3,5,6]C[3,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(SiC3)	C[3,5,6](C[3,5,6]C[3,5]C[3,6]H)(C[3,5]C[3,6]C[5]Si)(C[3,6]C[3,5]C[6]H)(H)	C[5](C[3,5]C[3,5,6]C[3,6]Si)2(O)	C[3,5](C[3,5,6]C[3,5,6]C[3,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(SiC3){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[3,5,6](C[3,5,6]C[3,5]C[3,6]H)(C[3,5]C[3,6]C[5]Si)(C[3,6]C[3,5]C[6]H)(H){1|Si<4>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]Si)2(O){2|C<3>,4|H<1>}	105.5445	0.260	2	105.5445	0.067	2	105.5445	0.067	2	106.5555	1.576	4	106.0953	0.832	19	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5]	4:4:3:4:	4:4:4:4:	4:3:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:C-4:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(CCCH)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]C)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(CCCH){4|H<1>,5|C<4>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){3|C<4>,4|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	103.9260	0.000	1	103.9260	0.000	1	103.9260	0.000	1	103.9260	0.000	1	106.0953	0.832	19	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[5]	4:4:3:4:	4:4:4:4:	4:4:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:S-4:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[5](C[3,5]C[3,5,6]C[3,6]S)(C[5]C[5]HH)(O)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){4|C<4>,6|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<1>,2|C<4>,5|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]S)(C[5]C[5]HH)(O){2|C<4>,3|H<1>}	106.3060	0.223	2	106.3060	0.050	2	106.3060	0.050	2	106.3060	0.050	2	106.0953	0.832	19	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6]	3:4:4:1:	4:4:4:1:	3:4:4:	C[5,6]-3:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6,6]-3:C[3,5]-4:C[6]-4:	C[3,5](C[5,6]C[5,6,6]C[6])(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H)	C[3,5](C[5,6]C[5,6,6]C[6]C)(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)	C[3,5](C[5,6]C[5,6,6]C[6])(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H){2|H<1>,4|C<4>}	C[3,5](C[5,6]C[5,6,6]C[6]C)(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH){5|C<4>,5|H<1>}	104.6460	0.000	1	104.6460	0.000	1	104.6460	0.000	1	104.6460	0.000	1	104.7755	0.034	2	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3,6]-4:C[5,6]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-3:	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5,6]C[5,6]2)(H)	C[3,5](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5,6]HH)(H)	C[5,6](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5,6]C[5,6]2)(H){5|C<4>,7|H<1>}	C[3,5](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5,6]HH)(H){4|C<4>,4|H<1>}	C[5,6](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]){6|C<4>,7|H<1>}	104.9050	0.000	1	104.9050	0.000	1	104.9050	0.000	1	104.9050	0.000	1	104.7755	0.034	2	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:2:3:1:	4:3:4:2:	4:3:3:	C[3,5]-4:O[3]-2:C[5]-3:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[3,5]-4:N[5]-3:C-3:	C[3,5](C[3,5]C[6a]C[5]O[3])(O[3]C[3,5])(C[5]N[5]C)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5])	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHH)	C[3,5](C[3,5]C[6a]C[5]O[3])(O[3]C[3,5])(C[5]N[5]C)(H){1|S<4>,2|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5]){1|S<4>,2|H<1>,3|C<3>}	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHH){1|C<3>,2|H<1>}	108.6460	0.000	1	108.6460	0.000	1	108.6460	0.000	1	108.6460	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:2:3:1:	4:4:2:1:	4:4:1:	C[3,5]-4:O[3]-2:C[5]-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]C[5]O)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]C[5]C)(O[3]C[3,5])(H)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]C[5]O)(H){2|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]C[5]C)(O[3]C[3,5])(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(O){1|H<1>,2|C<3>}	106.8100	0.000	1	106.8100	0.000	1	106.8100	0.000	1	106.8100	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:2:3:3:	4:4:2:1:	4:2:1:	C[3,5]-4:O[3]-2:C[5]-3:C-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCH){1|C<4>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	105.0390	0.000	1	105.0390	0.000	1	105.0390	0.000	1	105.0390	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:2:3:4:	4:4:2:1:	4:2:1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	104.8030	0.367	4	104.8030	0.135	4	105.0369	0.161	9	105.0369	0.161	9	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:2:3:4:	4:4:2:1:	4:2:1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	104.8875	0.248	2	104.8875	0.062	2	105.0369	0.161	9	105.0369	0.161	9	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:2:3:4:	4:4:2:1:	4:2:1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHO)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHO){1|C<4>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	105.5040	0.000	1	105.5040	0.000	1	105.0369	0.161	9	105.0369	0.161	9	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:2:3:4:	4:4:2:1:	4:2:1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	105.4205	0.214	2	105.4205	0.046	2	105.0369	0.161	9	105.0369	0.161	9	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:2:3:4:	4:4:2:1:	4:3:1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]N[5]O)(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|H<1>,1|O<1>}	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O){1|C<4>,2|H<1>}	105.4340	0.000	1	105.4340	0.000	1	105.4340	0.000	1	105.4340	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:2:1:	4:4:2:1:	4:4:1:	C[3,5]-4:C[5]-3:O[3]-2:H-1:	C[5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]O)(O[3]C[3,5])(H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(O)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]O)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(O){2|C<4>,4|H<1>}	106.8145	0.302	2	106.8145	0.091	2	106.8145	0.091	2	106.8145	0.091	2	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:2:3:	4:4:2:1:	4:3:1:	C[3,5]-4:C[6a]-3:O[3]-2:C[5]-3:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6]C[6]2N[5])(O[3]C[3,5])(H)	C[5](C[3,5]C[3,5]C[6a]O[3])(N[5]C[5,6]H)(O)	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6]C[6]2N[5])(O[3]C[3,5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[3,5]C[3,5]C[6a]O[3])(N[5]C[5,6]H)(O){1|H<1>,2|C<3>,2|C<4>}	104.9270	0.000	1	104.9270	0.000	1	104.9270	0.000	1	104.9270	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:2:4:	4:4:2:1:	4:4:1:	C[3,5]-4:C[5]-3:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5,5]-4:O-1:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5,5]O)(O[3]C[3,5])(CHHO)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HN)(O[3]C[3,5])(H)	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(O)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5,5]O)(O[3]C[3,5])(CHHO){1|C<4>,1|H<1>,2|N<2>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HN)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|O<1>}	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	105.9710	0.345	2	105.9710	0.119	2	105.9710	0.119	2	106.3703	0.538	3	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:2:4:	4:4:2:1:	4:4:1:	C[3,5]-4:C[5]-3:O[3]-2:C-4:	C[5,5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[5,5,6]-4:C[3,5]-4:O-1:	C[3,5](C[3,5]C[5,5,6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,5])(CC[6a]HO)	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3,5]O[3]C)(O)	C[3,5](C[3,5]C[5,5,6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,5])(CC[6a]HO){2|C<4>,2|H<1>}	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3,5]O[3]C)(O){1|C<3>,2|C<4>,3|H<1>}	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	106.3703	0.538	3	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:3:1:	4:3:3:3:	4:3:1:	C[3,5]-4:N[3]-3:C[5]-3:H-1:	C[3,5]-4:N[3]-3:C[6a]-3:C[5]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[6a]C[5]N[3])(N[3]C[3,5]C[6a])(C[5]N[5]O)(H)	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[3,5]C[3,5]N[3]H)(N[5]C[5]C)(O)	C[3,5](C[3,5]C[6a]C[5]N[3])(N[3]C[3,5]C[6a])(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[3,5]C[3,5]N[3]H)(N[5]C[5]C)(O){1|O<1>,2|C<3>}	105.7830	0.453	2	105.7830	0.205	2	105.7830	0.205	2	105.7830	0.205	2	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:3:1:	4:3:4:1:	4:4:1:	C[3,5]-4:N[3]-3:C[5]-3:H-1:	C[3,5]-4:N[3]-3:C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]O)(H)	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]HH)(H)	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]O)(H){4|H<1>}	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	107.5740	0.000	1	107.5740	0.000	1	107.5740	0.000	1	107.5740	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:3:3:	4:3:3:1:	4:3:1:	C[3,5]-4:N[3]-3:C[6a]-3:C[5]-3:	C[3,5]-4:N[3]-3:C[5]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[3,5](C[3,5]C[6a]C[5]N[3])(N[3]C[3,5]C[6a])(C[5]N[5]O)(H)	C[5](C[3,5]C[3,5]C[6a]N[3])(N[5]C[5]C)(O)	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[3,5]C[6a]C[5]N[3])(N[3]C[3,5]C[6a])(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[3,5]C[3,5]C[6a]N[3])(N[5]C[5]C)(O){1|H<1>,1|O<1>,3|C<3>}	104.7435	0.381	2	104.7435	0.145	2	104.7435	0.145	2	104.7435	0.145	2	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:3:4:	4:3:3:4:	4:3:4:	C[3,5]-4:Ga[3]-3:C[5]-3:C-4:	C[3,5]-4:Ga[3]-3:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3)	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3)	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3)	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3){3|C<4>}	107.5220	0.892	2	107.5220	0.796	2	107.5220	0.796	2	107.2940	2.782	8	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:3:4:	4:3:3:4:	4:3:4:	C[3,5]-4:In[3]-3:C[5]-3:C-4:	C[3,5]-4:In[3]-3:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5]In[3]C[5]C)(In[3]C[3,5]Rh)(C[5]C[5]C)(CH3)	C[3,5](C[3,5]In[3]C[5]C)(In[3]C[3,5]Rh)(C[5]C[5]C)(CH3)	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3)	C[3,5](C[3,5]In[3]C[5]C)(In[3]C[3,5]Rh)(C[5]C[5]C)(CH3){2|C<4>}	C[3,5](C[3,5]In[3]C[5]C)(In[3]C[3,5]Rh)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3){1|Rh<8>,2|C<4>}	107.6790	2.227	4	107.6790	4.961	4	107.2180	3.708	6	107.2940	2.782	8	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:3:4:	4:3:3:4:	4:3:4:	C[3,5]-4:In[3]-3:C[5]-3:C-4:	C[3,5]-4:In[3]-3:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5]In[3]C[5]C)(In[3]C[3,5]Ru)(C[5]C[5]C)(CH3)	C[3,5](C[3,5]In[3]C[5]C)(In[3]C[3,5]Ru)(C[5]C[5]C)(CH3)	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3)	C[3,5](C[3,5]In[3]C[5]C)(In[3]C[3,5]Ru)(C[5]C[5]C)(CH3){2|C<4>}	C[3,5](C[3,5]In[3]C[5]C)(In[3]C[3,5]Ru)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3){1|Ru<8>,2|C<4>}	106.2960	1.051	2	106.2960	1.104	2	107.2180	3.708	6	107.2940	2.782	8	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:3:4:3:	4:4:4:1:	4:3:2:	C[3,5]-4:C[5]-3:C[3]-4:C-3:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[3,5]-4:C[6a]-3:N[5]-2:	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]N[5])(C[3]C[3,5]HH)(COO)	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5])	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]N[5])(C[3]C[3,5]HH)(COO){1|H<1>,3|C<3>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H){3|C<3>}	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,6|H<1>}	103.0130	0.000	1	103.0130	0.000	1	103.0130	0.000	1	103.0130	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:2:3:	4:4:2:1:	4:4:1:	C[3,5]-4:C[6]-4:O[3]-2:C[5]-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[5]O[3]H)(C[6]C[6]2O)(O[3]C[3,5])(C[5]C[5]O)	C[3,5](C[3,5]C[5]C[6]O[3])(C[5]C[5]CH)(O[3]C[3,5])(H)	C[5](C[3,5]C[3,5]C[6]O[3])(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[5]O[3]H)(C[6]C[6]2O)(O[3]C[3,5])(C[5]C[5]O){4|C<4>,6|H<1>}	C[3,5](C[3,5]C[5]C[6]O[3])(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[6]O[3])(C[5]C[5]HH)(O){1|O<2>,2|H<1>,3|C<4>}	106.8160	0.000	1	106.8160	0.000	1	106.8160	0.000	1	106.8160	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	3:4:4:1:	3:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]SiH)(C[5]C[5,6a]O)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(O)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]SiH)(C[5]C[5,6a]O)(H){2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(O){1|Si<4>,2|C<3>,3|H<1>}	106.8820	0.000	1	106.8820	0.000	1	106.8820	0.000	1	106.8820	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	3:4:4:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	N[5,5]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,5]-4:O-1:	C[3,5](C[3,5]N[5,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[5,5]O)(H)	C[3,5](N[5,5]C[5,5]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]N[5,5]C[5]H)(O)	C[3,5](C[3,5]N[5,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[5,5]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[3,5](N[5,5]C[5,5]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]N[5,5]C[5]H)(O){1|O<2>,2|C<3>,4|H<1>}	106.0040	0.000	1	106.0040	0.000	1	106.0040	0.000	1	106.0040	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	3:4:4:4:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[6a]-3:C[3,5]-4:C[3,5]-4:C[3]-4:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[5]H)(H)	C[3,5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3]2C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[3,5]H)(H)	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[3,5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3]2C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH){3|C<3>,7|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[3,5]H)(H){1|C<3>,2|C<4>,2|H<1>}	105.2930	0.000	1	105.2930	0.000	1	105.2930	0.000	1	105.2930	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:2:1:	4:3:1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3]-4:C[3,5]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(C[5]C[5]H)(H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]H)(H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]H)(H){1|H<1>,2|C<3>}	102.6690	0.000	1	102.6690	0.000	1	102.6690	0.000	1	102.6690	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:2:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(O[5]C[5])(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]CH)(O)	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H){1|C<4>,1|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]CH)(O){1|C<3>,2|H<1>}	104.6850	0.000	1	104.6850	0.000	1	104.6850	0.000	1	104.6850	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[6a]C[5])(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,3|H<1>}	106.3155	0.202	2	106.3155	0.041	2	106.3155	0.041	2	105.6939	0.331	7	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(C[5]C[5]H)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[5]H)(H)	C[3,5](C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]C)(H){2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[5]H)(H){2|C<3>,2|H<1>}	104.7830	0.000	1	104.7830	0.000	1	104.7830	0.000	1	105.6939	0.331	7	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	105.6107	0.325	4	105.6107	0.106	4	105.6107	0.106	4	105.6939	0.331	7	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:3:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]S)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[5]CH)(O)	C[3,5](C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|S<4>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]S)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[5]CH)(O){1|C<3>,1|S<4>,2|H<1>}	106.1970	0.000	1	106.1970	0.000	1	106.1970	0.000	1	106.1970	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[3,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5]-3:C-4:	C[3,5]-4:C[5]-3:O-1:	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H)	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]H)(CC3)	C[5](C[3,5]C[3,5]2H)(C[5]C[5]C)(O)	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[3,5]C[3,5]2H)(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<4>}	107.0410	0.095	2	107.0410	0.009	2	107.0410	0.009	2	107.0683	0.077	4	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:C[5]-3:O-1:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]O)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]H)(CCHH)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[6a]C[5])(O)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]O)(H){1|C<3>,1|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]H)(CCHH){1|C<3>,1|O<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[6a]C[5])(O){1|C<4>,2|H<1>,3|C<3>}	106.7640	0.000	1	106.7640	0.000	1	106.7640	0.000	1	107.0683	0.077	4	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3]-4:C[3,5]-4:C[6a]-3:C[5]-4:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(H){2|H<1>,5|C<3>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|O<1>,2|H<1>,5|C<3>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O){2|C<3>,3|H<1>}	107.4270	0.000	1	107.4270	0.000	1	107.4270	0.000	1	107.0683	0.077	4	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(H){2|C<3>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(O){1|C<3>,4|H<1>}	106.4663	0.082	4	106.4663	0.007	4	106.4663	0.007	4	106.4663	0.007	4	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]CH)(H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O){1|C<3>,4|H<1>}	107.3140	0.000	1	107.3140	0.000	1	107.3140	0.000	1	106.8713	0.117	4	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6]-3:O-1:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]CC)(C[5]C[5,6]O)(H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(O)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]CC)(C[5]C[5,6]O)(H){1|C<3>,2|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	106.8713	0.117	4	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O){1|C<3>,4|H<1>}	106.7070	0.000	1	106.7070	0.000	1	106.6135	0.017	2	106.8713	0.117	4	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]O)(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]O)(O){1|C<3>,4|H<1>}	106.5200	0.000	1	106.5200	0.000	1	106.6135	0.017	2	106.8713	0.117	4	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:3:4:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]CC)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]CC)(H){1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3,6]-4:C[5]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]O)(H)	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]HH)(H)	C[5](C[3,5]C[3,5]C[3,6]H)(C[5]C[5]CC)(O)	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5](C[3,5]C[3,5]C[3,6]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,3|H<1>}	108.0040	0.000	1	108.0040	0.000	1	108.0040	0.000	1	106.9243	0.423	8	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<2>,2|C<4>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(O){1|O<2>,4|H<1>}	107.1600	0.000	1	107.1600	0.000	1	107.1600	0.000	1	106.9243	0.423	8	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]CC)(C[5]C[5,6]O)(H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(O)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]CC)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(O){3|H<1>,5|C<4>}	106.8440	0.000	1	106.8440	0.000	1	106.6382	0.330	5	106.9243	0.423	8	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O){2|C<4>,6|H<1>}	107.1180	0.310	2	106.8123	0.328	3	106.6382	0.330	5	106.9243	0.423	8	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O){2|C<4>,6|H<1>}	106.2010	0.000	1	106.8123	0.328	3	106.6382	0.330	5	106.9243	0.423	8	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(O)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(O){3|C<4>,5|H<1>}	105.9100	0.000	1	105.9100	0.000	1	106.6382	0.330	5	106.9243	0.423	8	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-4:C[3]-4:C[3,5]-4:H-1:	C[3,5]-4:C[5,6]-4:C-1:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]C[6a]H)(C[5]C[5,6]C)(H)	C[3,5](C[5,6]C[5,6]C[6]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(C)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]C[6a]H)(C[5]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[3,5](C[5,6]C[5,6]C[6]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(H){1|C<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(C){1|C<3>,2|C<4>,5|H<1>}	107.0390	0.000	1	107.0390	0.000	1	107.0390	0.000	1	106.9243	0.423	8	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]C)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]2C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(CHH)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]C)(H){1|H<1>,3|C<4>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]2C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(CHH){2|C<4>,3|H<1>}	107.1970	0.000	1	107.1970	0.000	1	107.1970	0.000	1	106.6462	0.230	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[5,6]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5,6]C[5,6]2C)(C[3]C[3,5]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[3,5](C[3,5]C[3]C[5]H)(C[5,6]C[5,6]2C)(C[3]C[3,5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,2|C<4>,5|H<1>}	106.7000	0.000	1	106.7000	0.000	1	106.7000	0.000	1	106.6462	0.230	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[3,5](C[5,6]C[4,6]C[5,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[4,6]C[5,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,2|C<4>,5|H<1>}	106.5450	0.697	2	106.5450	0.486	2	106.5706	0.246	8	106.6462	0.230	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[3,5](C[5,6]C[5,6]C[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,2|C<4>,5|H<1>}	106.5070	0.000	1	107.0170	0.520	2	106.5706	0.246	8	106.6462	0.230	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[3,5](C[5,6]C[5,6]C[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	107.5270	0.000	1	107.0170	0.520	2	106.5706	0.246	8	106.6462	0.230	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]2H)(CHH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]2H)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	106.3590	0.000	1	106.3590	0.000	1	106.5706	0.246	8	106.6462	0.230	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	106.0650	0.000	1	106.3607	0.068	3	106.5706	0.246	8	106.6462	0.230	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,2|C<4>,5|H<1>}	106.4610	0.000	1	106.3607	0.068	3	106.5706	0.246	8	106.6462	0.230	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|O<2>,3|C<4>,4|H<1>}	106.5560	0.000	1	106.3607	0.068	3	106.5706	0.246	8	106.6462	0.230	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:3:	3:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[5,6]-3:C[3,5]-4:H-1:	C[3,5](C[3,5]C[5,6]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[5,6]H)(H)	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H)	C[3,5](C[3,5]C[5,6]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2){1|O<2>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H){1|C<4>,3|C<3>,3|H<1>}	106.6740	0.000	1	106.6740	0.000	1	106.6740	0.000	1	106.6740	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:3:	4:4:1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:C-3:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[5]O)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[5]CH)(CHO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[5]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[5]CH)(CHO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	104.6755	0.063	2	104.6755	0.004	2	104.6755	0.004	2	104.6755	0.004	2	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:4:	3:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:C-4:	C[5,6]-3:C[3,5]-4:H-1:	C[3,5](C[3,5]C[5,6]C[3]C)(C[3]C[3,5]CH)(C[5]C[5,6]H)(H)	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(CCHH)	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H)	C[3,5](C[3,5]C[5,6]C[3]C)(C[3]C[3,5]CH)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(CCHH){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H){2|C<3>,2|H<1>,3|C<4>}	106.4990	0.054	2	106.4990	0.003	2	106.4990	0.003	2	106.4990	0.003	2	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5]-4:C-4:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)	C[5](C[3,5]C[3,5]2H)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[3,5]C[3,5]2H)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	108.6700	0.000	1	108.6700	0.000	1	108.6700	0.000	1	108.0410	0.791	2	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CCHO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(H){4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CCHO){1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(O){1|C<4>,4|H<1>}	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	108.0410	0.791	2	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:2:	4:4:4:1:	4:2:1:	C[3,5]-4:C[3]-4:C[5]-3:C-2:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CN)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CN){2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H){1|O<1>}	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O){1|C<3>,4|H<1>}	106.9260	0.000	1	106.9260	0.000	1	106.9260	0.000	1	106.9260	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:3:4:	4:3:1:	C[3]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(CH3)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,4|C<3>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	104.7580	0.233	2	104.7580	0.054	2	104.7580	0.054	2	104.7580	0.054	2	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:2:1:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]O[5]O)(COO)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(C[5]O[5]CH)(H)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]O[5]O)(COO){1|C<4>,1|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(C[5]O[5]CH)(H){1|O<1>}	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O){2|H<1>,3|C<4>}	105.4940	0.000	1	105.4940	0.000	1	105.1610	0.312	4	106.0717	1.852	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:2:1:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CC[6a]N)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CC[6a]N){2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H){1|O<1>}	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O){1|C<3>,4|H<1>}	104.6270	0.000	1	104.6895	0.008	2	105.1610	0.312	4	106.0717	1.852	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:2:1:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CC[6a]N)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CC[6a]N){2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H){1|O<1>}	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O){1|C<4>,4|H<1>}	104.7520	0.000	1	104.6895	0.008	2	105.1610	0.312	4	106.0717	1.852	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:2:1:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]O[5]O)(COO)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]O[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]O[5]O)(COO){2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]O[5]HH)(H){1|O<1>}	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O){5|H<1>}	105.7710	0.000	1	105.7710	0.000	1	105.1610	0.312	4	106.0717	1.852	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:2:1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]O[5]O)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]O[5]HH)(H)	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(O){2|C<3>,5|H<1>}	104.6980	0.000	1	104.6980	0.000	1	104.6980	0.000	1	106.0717	1.852	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:2:1:	C[3]-4:C[3,5]-4:C[5]-3:C-3:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(COO)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(H)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(COO){1|H<1>,3|C<3>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(H){1|O<1>,4|C<3>}	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O){2|C<3>,3|H<1>}	106.2487	0.332	3	106.2487	0.110	3	106.2487	0.110	3	106.0717	1.852	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:2:1:	C[3]-4:C[3,5]-4:C[5]-3:N-3:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(NOO)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]N)(C[5]O[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]N)(O[5]C[5])(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(NOO){2|C<3>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]N)(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]N)(O[5]C[5])(O){1|C<3>,4|H<1>}	108.3145	0.391	2	108.3145	0.153	2	108.3145	0.153	2	106.0717	1.852	10	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:2:2:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:N[5]-2:S-2:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]S)(CC[6a]O)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5])(SC)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]S)(CC[6a]O){2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|S<2>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5])(SC){5|H<1>}	101.6675	0.218	2	101.6675	0.048	2	101.6675	0.048	2	101.6675	0.048	2	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|S<4>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(O){2|C<3>,5|H<1>}	106.0430	0.000	1	106.0430	0.000	1	106.0430	0.000	1	106.0430	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:3:2:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]N)(COO)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NP)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]N)(COO){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|C<4>,1|N<2>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NP){5|H<1>}	105.3250	0.000	1	105.3250	0.000	1	105.0680	0.132	2	104.2840	1.659	5	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:3:2:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]N)(COO)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NS)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]N)(COO){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|C<4>,1|N<2>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NS){5|H<1>}	104.8110	0.000	1	104.8110	0.000	1	105.0680	0.132	2	104.2840	1.659	5	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:3:2:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]N)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(NC[6a])	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]N){1|S<4>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|N<2>,1|S<4>,2|C<3>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(NC[6a]){2|C<3>,5|H<1>}	105.4850	0.000	1	105.4850	0.000	1	105.4850	0.000	1	104.2840	1.659	5	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:3:2:	C[3]-4:C[3,5]-4:C[5]-3:C-3:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:N[5]-2:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5])(COO)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5])	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5])(COO){2|H<1>,4|C<3>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)(H){3|C<3>}	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,6|H<1>}	102.8995	0.021	2	102.8995	0.000	2	102.8995	0.000	2	104.2840	1.659	5	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-3:C-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)(COO)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(COO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)(COO){3|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(COO){1|C<4>,4|H<1>}	104.2460	0.000	1	104.2460	0.000	1	104.2460	0.000	1	104.2460	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:3:4:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)(COO)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HO)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(CHHO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)(COO){1|O<2>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HO)(H){1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(CHHO){1|C<3>,1|O<2>,3|H<1>}	104.3540	0.000	1	104.3540	0.000	1	104.3540	0.000	1	104.3540	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2)	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,4|H<1>}	106.1370	0.000	2	106.1370	0.000	2	106.1807	0.186	7	106.0946	0.219	8	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	106.1405	0.383	2	106.1982	0.278	5	106.1807	0.186	7	106.0946	0.219	8	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	106.2367	0.690	3	106.1982	0.278	5	106.1807	0.186	7	106.0946	0.219	8	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]O)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]CH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,5|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]CH)(O){3|C<3>,4|H<1>}	105.4920	0.000	1	105.4920	0.000	1	105.4920	0.000	1	106.0946	0.219	8	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:3:	4:3:2:	C[3,5]-4:C[3]-4:C[5]-3:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:N[5]-2:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]C[5,5])	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|N<2>,2|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]C[5,5]){3|H<1>,8|C<3>}	101.6425	0.284	2	101.6425	0.080	2	101.6425	0.080	2	101.6425	0.080	2	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:3:	4:4:4:4:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:C-3:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]O)(CC[6a]O)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(CH3)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(O)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]O)(CC[6a]O){1|S<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(CH3){1|O<1>,1|S<4>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(O){1|C<4>,4|H<1>}	107.1200	0.000	1	107.1200	0.000	1	107.1200	0.000	1	107.1200	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:3:1:	4:3:1:	C[3,5]-4:C[3,5]-4:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]H)(CC3)	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5]2C)(C[5]C[5]C)(H)	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]2C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	102.8435	0.142	2	102.8435	0.020	2	102.8435	0.020	2	103.4377	1.069	3	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:3:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]H)(CCHH)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[6a]C[5])(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]H)(CCHH){1|C<3>,1|O<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]O)(H){1|C<3>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[6a]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	104.6260	0.000	1	104.6260	0.000	1	104.6260	0.000	1	103.4377	1.069	3	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:3:3:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(CH3)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,4|C<3>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	105.5065	0.054	2	105.5065	0.003	2	105.5065	0.003	2	105.5065	0.003	2	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:4:1:	4:2:1:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:C[5]-4:C[3]-4:Br-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]O[5]O)(CH3)	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(C[3]C[3,5]HH)(Br)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(C[3]C[3,5]HH)(Br){1|O<1>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O){1|Br<1>,1|C<3>,3|H<1>}	104.4640	0.000	1	104.4640	0.000	1	104.4640	0.000	1	104.4640	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:4:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(CH3)	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O){1|C<3>,4|H<1>}	105.1460	0.000	1	105.1460	0.000	1	105.1460	0.000	1	105.1460	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:P-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(PC[6a]2O)	C[3,5](C[3,5]C[3]C[5]P)(C[3]C[3,5]CC)(C[5]C[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]P)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(PC[6a]2O){4|H<1>}	C[3,5](C[3,5]C[3]C[5]P)(C[3]C[3,5]CC)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]P)(C[5]C[5]HH)(O){2|C<4>,3|H<1>}	106.0530	0.000	1	106.0530	0.000	1	106.0530	0.000	1	106.4028	1.153	6	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3]-4:C[5]-4:Br-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(Br)	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(Br){1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O){1|Br<1>,4|H<1>}	105.5985	0.739	2	105.5985	0.546	2	105.5985	0.546	2	106.4028	1.153	6	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(SC[6a]OO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]CC)(C[5]C[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]CC)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O){2|C<4>,3|H<1>}	107.7800	0.000	1	107.7800	0.000	1	107.0557	1.261	3	106.4028	1.153	6	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O){5|H<1>}	106.6935	1.317	2	106.6935	1.735	2	107.0557	1.261	3	106.4028	1.153	6	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]C)(CH3)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]CC)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]CC)(H){1|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]H){2|C<3>,3|H<1>}	106.8930	0.000	1	106.8930	0.000	1	106.8930	0.000	1	106.8930	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:4:4:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[5,5]-4:C[3,5]-4:C[3]-4:C-4:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[5,5]C[3]C)(C[3]C[3,5]HH)(C[5]C[5]H)(SC[6a]OO)	C[3,5](C[5,5]C[5,6a]C[5]2)(C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(CH3)	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5,5]C)(H)	C[3,5](C[3,5]C[5,5]C[3]C)(C[3]C[3,5]HH)(C[5]C[5]H)(SC[6a]OO){3|C<3>}	C[3,5](C[5,5]C[5,6a]C[5]2)(C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5,5]C)(H){1|C<4>,2|C<3>,2|H<1>}	106.3030	0.000	1	106.3030	0.000	1	106.3030	0.000	1	106.3030	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:4:4:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(CHHO)	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(CHHO){1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O){1|C<4>,4|H<1>}	105.9260	0.000	1	105.9260	0.000	1	105.9260	0.000	1	105.9260	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:3:4:	4:4:4:4:	4:4:2:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3,5]-4:C[5]-4:N-2:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]N)(SC[6a]OO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(CH3)	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(NO)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]N)(SC[6a]OO){4|H<1>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(CH3){1|N<2>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(NO){1|C<4>,4|H<1>}	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	4:4:4:3:	3:4:4:4:	4:3:1:	C[3,5]-4:C[3]-4:C[3]-4:C[5]-3:	C[6a]-3:C[3,5]-4:C[3,5]-4:C[3]-4:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3]HH)2(C[5]C[5]H)	C[3,5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3]2C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)	C[5](C[3,5]C[3,5]C[3]2)(C[5]C[3,5]H)(H)	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3]HH)2(C[5]C[5]H){2|C<3>,4|H<1>}	C[3,5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3]2C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH){3|C<3>,7|H<1>}	C[5](C[3,5]C[3,5]C[3]2)(C[5]C[3,5]H)(H){1|C<3>,1|C<4>,5|H<1>}	105.4930	0.000	1	105.4930	0.000	1	105.4930	0.000	1	105.4930	0.000	1	105.9221	2.095	139	106.2636	3.028	221
486	486	818	5:SP3_SP2_SP3	C[3,5]	C[3,5]	C[5]	6:4:3:4:	6:4:3:4:	4:3:4:	Ga[3]-6:C[3,5]-4:C[5]-3:C-4:	Ga[3]-6:C[3,5]-4:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-4:	C[3,5](Ga[3]C[3,5]Fe2SS)(C[3,5]Ga[3]C[5]C)(C[5]C[5]C)(CH3)	C[3,5](Ga[3]C[3,5]Fe2SS)(C[3,5]Ga[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3)	C[3,5](Ga[3]C[3,5]Fe2SS)(C[3,5]Ga[3]C[5]C)(C[5]C[5]C)(CH3){2|C<4>}	C[3,5](Ga[3]C[3,5]Fe2SS)(C[3,5]Ga[3]C[5]C)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3){2|Fe<6>,2|C<4>,2|S<3>}	107.0025	0.107	2	107.0025	0.011	2	107.0025	0.011	2	107.0025	0.011	2	105.9221	2.095	139	106.2636	3.028	221
486	486	818	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6]	3:4:3:4:	4:3:3:4:	4:3:3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2{1|Ru<5>,3|C<4>,7|C<3>}	115.7805	0.387	2	115.7805	0.150	2	115.7805	0.150	2	115.7805	0.150	2	116.6424	1.497	10	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6]	4:3:3:2:	3:3:4:2:	4:4:3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O[3]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6])	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6]){1|N<3>,2|C<4>,7|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6]){2|C<4>,6|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){1|N<3>,2|C<4>,8|C<3>}	118.2930	0.000	1	118.2930	0.000	1	118.6650	0.277	2	118.6650	0.277	2	116.6424	1.497	10	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6]	4:3:3:2:	3:3:4:2:	4:4:3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O[3]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6])	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6]){1|N<3>,2|C<4>,7|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6]){2|C<4>,6|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,4|C<4>,6|C<3>}	119.0370	0.000	1	119.0370	0.000	1	118.6650	0.277	2	118.6650	0.277	2	116.6424	1.497	10	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6]	4:3:3:4:	3:3:4:4:	4:3:4:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)2(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)2(C[3]C[3,5,6,6]CC){2|Ru<5>,2|C<4>,6|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC){2|C<4>,6|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru){1|Ru<5>,3|C<4>,7|C<3>}	116.4965	0.758	4	116.4965	0.575	4	116.4965	0.575	4	116.4965	0.575	4	116.6424	1.497	10	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6,6]	4:3:3:4:	4:3:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2{1|Ru<5>,3|C<4>,7|C<3>}	115.7735	0.237	2	115.7735	0.056	2	115.7735	0.056	2	115.7735	0.056	2	116.6424	1.497	10	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[5,6]	4:4:4:3:	4:4:4:3:	4:4:3:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[5,6]-3:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[3,5,6,6]-4:C[5]-4:C[5,6]-3:	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]C[5])	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6]){1|C<2>,2|C<4>,4|C<3>,5|H<1>}	115.7670	0.055	2	115.7670	0.003	2	115.7670	0.003	2	115.7670	0.003	2	115.7670	0.003	2	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6]	C[3,3,6]	C[5,6]	4:4:3:3:	4:4:4:3:	4:3:3:	P[3x3,5]-4:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	B[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	C[5,6](C[3,5,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5,6](C[3,5,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<4>,2|H<1>,7|C<3>}	113.7560	0.000	1	113.7560	0.000	1	113.7560	0.000	1	113.7560	0.000	1	113.1706	22.905	8	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6]	C[3,3,6]	C[5,6]	5:4:3:3:	5:4:4:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	111.0380	0.035	2	111.0380	0.001	2	111.0380	0.001	2	111.4023	0.399	3	113.1706	22.905	8	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6]	C[3,3,6]	C[5,6]	5:4:3:3:	5:4:4:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	B[3x3,5]-5:C[3,5,6]-4:C[3,3,6]-4:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,9|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2){1|C<4>,2|F<1>,8|C<3>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,8|C<3>}	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	111.4023	0.399	3	113.1706	22.905	8	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6]	C[3,3,6]	C[5,6]	5:4:3:4:	5:4:4:1:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:Si-4:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:H-1:	C[3,5,6]-4:C[5,6]-3:B-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]H)(C[5,6]C[5,6]B)(SiC3)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[3,5,6]B[3x3,5]C[5,6]Si)(H)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]C[6a])(BC[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]H)(C[5,6]C[5,6]B)(SiC3){1|Si<4>,1|C<4>,3|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[3,5,6]B[3x3,5]C[5,6]Si)(H){1|Si<4>,1|B<3>,3|C<3>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]C[6a])(BC[6a]2){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	110.2480	0.000	1	110.2480	0.000	1	110.2480	0.000	1	110.2480	0.000	1	113.1706	22.905	8	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6]	C[3,3,6]	C[5,6]	5:4:3:4:	5:4:4:4:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C-4:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C-4:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(CCHH)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C)(CCHH)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(CCHH){7|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C)(CCHH){7|C<3>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,6|C<3>}	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	111.2480	1.921	2	113.1706	22.905	8	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6]	C[3,3,6]	C[5,6]	5:4:3:4:	5:4:4:4:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:Si-4:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C-4:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(SiC3)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]H)(C[3,5,6]B[3x3,5]C[5,6]Si)(CCHH)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]B)(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(SiC3){1|Si<4>,1|B<3>,1|H<1>,4|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]H)(C[3,5,6]B[3x3,5]C[5,6]Si)(CCHH){1|Si<4>,4|C<3>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]B)(C[6a]C[6a]2){1|Si<4>,2|C<4>,2|F<1>,3|C<3>}	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	111.2480	1.921	2	113.1706	22.905	8	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6]	C[3,3,6]	C[5,6]	9:4:3:1:	9:3:4:1:	4:4:1:	I[8x3,5]-9:C[3,3,6]-4:C[5,6]-3:H-1:	I[8x3,5]-9:C[3,3,6]-3:C[3,5,6]-4:H-1:	C[3,5,6]-4:C[5,6]-4:O-1:	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[5,6]O)(H)	C[3,3,6](I[8x3,5]C[3,3,5]5C[3,3,6]C[3,5,6]2)(C[3,3,6]C[3,5,6]I[8x3,5])(C[3,5,6]I[8x3,5]C[5,6]H)(H)	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]HP)(O)	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[5,6]O)(H){1|P<4>,2|H<1>,5|C<4>}	C[3,3,6](I[8x3,5]C[3,3,5]5C[3,3,6]C[3,5,6]2)(C[3,3,6]C[3,5,6]I[8x3,5])(C[3,5,6]I[8x3,5]C[5,6]H)(H){1|H<1>,1|O<1>,6|C<4>}	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]HP)(O){1|C<3>,2|H<1>,5|C<4>}	124.6580	0.000	1	124.6580	0.000	1	124.6580	0.000	1	124.6580	0.000	1	113.1706	22.905	8	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[5,6]	4:3:4:3:	4:4:4:4:	4:4:3:	C[3,5,6]-4:C[5,6]-3:C[3]-4:C[5]-3:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[5,6]-4:C[5]-3:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5])(C[3]C[3,5,6]HH)(C[5]O[5]O)	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5])(C[3]C[3,5,6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	118.7615	0.025	2	118.7615	0.001	2	118.7615	0.001	2	118.7615	0.001	2	118.7615	0.001	2	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6]	C[3,6,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:H-1:	C[3,5,6]-4:C[5,6,6]-4:C-3:	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C)(H)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]H)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C)(H){2|C<3>,3|H<1>}	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2){3|C<3>,3|H<1>}	114.3110	0.223	2	114.3110	0.050	2	114.3110	0.050	2	114.3110	0.050	2	114.9773	1.357	3	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6]	C[3,6,6]	C[5,6]	4:4:3:1:	4:4:3:4:	4:4:1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:C-4:	C[3,5,6]-4:C[5,6,6]-4:O-1:	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6]C[5,6,6]O)(H)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]O)(CH3)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6,6]C[6,6]C)(O)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6]C[5,6,6]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6,6]C[6,6]C)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	116.3100	0.000	1	116.3100	0.000	1	116.3100	0.000	1	116.3100	0.000	1	114.9773	1.357	3	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[5,6]	3:4:4:3:	4:3:4:1:	4:3:2:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5,6]-3:	C[3,5,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,5,6]-4:N[6]-3:N[5]-2:	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6])	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H)	C[5,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[6]C[6,6a]S)(N[5]C[5,6a])	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,1|S<4>,6|C<3>}	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[5,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[6]C[6,6a]S)(N[5]C[5,6a]){2|H<1>,5|C<3>}	116.2300	0.000	1	116.2300	0.000	1	116.2300	0.000	1	116.2300	0.000	1	119.0910	16.371	2	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[5,6]	4:3:2:2:	4:4:2:1:	4:4:3:	C[3,6]-4:C[5,6]-3:O[3]-2:O[5]-2:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5])	C[3,6](C[3,5,6]C[5,6]O[3]O[5])(C[6,6]C[3,6,6]C[6,6]H)(O[3]C[3,5,6])(H)	C[5,6](C[3,5,6]C[3,6]O[3]O[5])(C[3,6]C[3,6,6]O[3]H)(C[5]C[5]C)	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[5,6]O[3]O[5])(C[6,6]C[3,6,6]C[6,6]H)(O[3]C[3,5,6])(H){1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[3,5,6]C[3,6]O[3]O[5])(C[3,6]C[3,6,6]O[3]H)(C[5]C[5]C){1|H<1>,1|O<1>,2|C<4>}	121.9520	0.000	1	121.9520	0.000	1	121.9520	0.000	1	121.9520	0.000	1	119.0910	16.371	2	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[5,6]	4:3:2:1:	4:4:4:2:	4:4:3:	C[3,6,6]-4:C[5,6]-3:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[5,6]-4:C[5]-3:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5])(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6])	C[5,6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5])(O[3]C[3,6,6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	116.3060	0.000	1	116.3060	0.000	1	116.3060	0.000	1	117.6065	3.383	2	117.6065	3.383	2	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[5,6]	4:3:2:1:	4:4:4:2:	4:4:3:	C[3,6,6]-4:C[5,6]-3:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[3,5,6]C[5])(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[5,6](C[3,5,6]C[3,6]O[3]O[5])(C[3,6]C[3,6,6]O[3]H)(C[5]C[5]C)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[3,5,6]C[5])(O[3]C[3,6,6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[3,5,6]C[3,6]O[3]O[5])(C[3,6]C[3,6,6]O[3]H)(C[5]C[5]C){1|H<1>,1|O<1>,2|C<4>}	118.9070	0.000	1	118.9070	0.000	1	118.9070	0.000	1	117.6065	3.383	2	117.6065	3.383	2	115.9760	10.521	31
486	486	818	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[5,6]	3:4:2:1:	4:4:2:1:	4:4:3:	C[5,6]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:C[5]-3:	C[3,6](C[5,6]C[5,6]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]N[5]H)(C[5]C[5]H)	C[3,6](C[5,6]C[5,6]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]N[5]H)(C[5]C[5]H){1|C<4>,1|S<4>,5|H<1>}	118.0410	0.303	2	118.0410	0.092	2	118.0410	0.092	2	118.0410	0.092	2	118.0410	0.092	2	115.9760	10.521	31